57090680
  -OEChem-04262417192D

 28 29  0     1  0  0  0  0  0999 V2000
    4.5411   -1.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -3.1304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -3.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.3214    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320   -2.3214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -3.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -2.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -2.2244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.8334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -0.5011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -3.4022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -3.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1788   -3.5275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.5275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
 12  5  1  6  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 14  1  0  0  0  0
  7 16  2  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  6  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57090680

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
356

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAYCAAACBThgAYBAAJABgAoABIhNAAQAAEAAAAWAAAYAACBEAIAgAAOQAAHHgIDAACwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-amino-2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-amino-2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-amino-2-[(2<I>R</I>,5<I>R</I>)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_NAME>
5-amino-2-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-azanyl-2-[(2R,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-amino-2-[(2R,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12N4O4/c9-6-2-10-12(8(15)11-6)7-1-4(14)5(3-13)16-7/h2,4-5,7,13-14H,1,3H2,(H2,9,11,15)/t4?,5-,7-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZPYDYSQNSAQWMR-JXPXPQBSSA-N

> <PUBCHEM_XLOGP3_AA>
-1.6

> <PUBCHEM_EXACT_MASS>
228.08585488

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
228.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(OC1N2C(=O)N=C(C=N2)N)CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H](O[C@@H](C1O)CO)N2C(=O)N=C(C=N2)N

> <PUBCHEM_CACTVS_TPSA>
121

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.08585488

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  13  6
15  16  8
9  2  3
12  5  6
5  14  8
5  6  8
6  15  8
7  14  8
7  16  8

$$$$