221101
  -OEChem-05211310512D

 18 19  0     0  0  0  0  0  0999 V2000
    5.2619   -0.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -2.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -1.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
221101

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
150

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjgAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAYAAAACAiBFgQH8LZrEACiAQZhZACShC0xEKAR+SA4VJiIaCLA2NGUhAhomAJIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

> <PUBCHEM_IUPAC_NAME>
3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7N5/c1-3-4-5(11-10-3)6(7)9-2-8-4/h2H,1H3,(H,10,11)(H2,7,8,9)

> <PUBCHEM_IUPAC_INCHIKEY>
CKQUGJFXOKFYKJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
149.070145

> <PUBCHEM_MOLECULAR_FORMULA>
C6H7N5

> <PUBCHEM_MOLECULAR_WEIGHT>
149.15328

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(=NN1)C(=NC=N2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C(=NN1)C(=NC=N2)N

> <PUBCHEM_CACTVS_TPSA>
80.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.070145

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
8

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  7  8
2  8  8
3  11  8
3  6  8
4  11  8
4  9  8
6  7  8
6  8  8
8  9  8

$$$$