35370
  -OEChem-06302404482D

 32 33  0     1  0  0  0  0  0999 V2000
    5.8858   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1591   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8089    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    0.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -2.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -2.8709    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7663    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.5768   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0768   -0.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2678   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5768   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1646   -2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9645   -2.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -0.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9578   -0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1892   -2.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3355   -3.5714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798    2.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5236   -3.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6548    2.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078    2.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348    1.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
 11  5  1  6  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
 10  6  1  1  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  6  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
35370

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
484

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAYCAAADDzhgAYDAAPABgCKAgFWUACAAAAAAAAAAAEIAECDEAIAwQAPQAAOByIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(2<I>R</I>,4<I>S</I>,5<I>S</I>)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2R,4S,5S)-4-azido-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HBOMLICNUCNMMY-XLPZGREQSA-N

> <PUBCHEM_XLOGP3>
0

> <PUBCHEM_EXACT_MASS>
267.09675391

> <PUBCHEM_MOLECULAR_FORMULA>
C10H13N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
267.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

> <PUBCHEM_CACTVS_TPSA>
93.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
267.09675391

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  6
15  17  8
17  18  8
11  5  6
5  15  8
5  16  8
10  6  5
7  16  8
7  18  8

$$$$
