373978
  -OEChem-04242419532D

 32 34  0     1  0  0  0  0  0999 V2000
    5.2619   -1.6734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    0.3892    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9422    1.3892    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9889    0.0818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9917    1.6999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3764   -0.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154    0.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    1.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.0675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  2  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 28  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
373978

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
337

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOABAAAAAAAAAAAAAAAAAASJAAAAsAAAAAAAAAFgB+AAAHgQQCAAADByl3gal8fZIFgikAwZjZACDoKkxCLAB2DQoTJiJPqLg+NmGVAxvwANr6Cfw8PcMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-amino-7-thieno[3,4-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME>
2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-azanylthieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-methylol-tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13N3O4S/c12-11-4-2-19-10(6(4)13-3-14-11)9-8(17)7(16)5(1-15)18-9/h2-3,5,7-9,15-17H,1H2,(H2,12,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
VTCXCOOTIXNZFE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.9

> <PUBCHEM_EXACT_MASS>
283.06267708

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
283.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CN=C2N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CN=C2N

> <PUBCHEM_CACTVS_TPSA>
150

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.06267708

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
1  13  8
1  17  8
11  13  3
12  14  3
13  15  8
15  16  8
16  17  8
16  18  8
9  3  3
10  4  3
6  15  8
6  19  8
7  18  8
7  19  8

$$$$