647663
  -OEChem-04262406492D

 34 37  0     0  0  0  0  0  0999 V2000
    6.3136   -0.4799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -0.6470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3836   -1.5548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4476    1.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155    1.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1796    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4476    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9117    0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9117    1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456   -0.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1796    1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    1.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3723   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8056   -0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8056    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7117   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7117    1.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816    1.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3136   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6427    1.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    2.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864   -1.9132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7985   -1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7985    2.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    0.1659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -0.3129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -1.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2474   -0.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2474    1.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816    2.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  2  0  0  0  0
  4  8  1  0  0  0  0
  4 21  2  0  0  0  0
  5  9  2  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
647663

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
363

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7gAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFjB/AAAHAAYAAAADAjBGwQ/8N7IEACiAjZnZACShCsxgqAd2CAoZJiIKOLA2dGEpAhomALIyCcQgIAOiAAAQAAQAAAQAACAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-N-(2-naphthyl)pyrazolo[3,4-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-N-(2-naphthalenyl)-4-pyrazolo[3,4-d]pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-methyl-<I>N</I>-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
1-methyl-N-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-N-naphthalen-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(2-naphthyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13N5/c1-21-16-14(9-19-21)15(17-10-18-16)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,17,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
GZKDFVLASZBIFV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
275.11709544

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13N5

> <PUBCHEM_MOLECULAR_WEIGHT>
275.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=NC=NC(=C2C=N1)NC3=CC4=CC=CC=C4C=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=NC=NC(=C2C=N1)NC3=CC4=CC=CC=C4C=C3

> <PUBCHEM_CACTVS_TPSA>
55.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
275.11709544

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
10  16  8
11  14  8
11  17  8
13  14  8
16  19  8
17  20  8
19  20  8
2  3  8
2  9  8
3  15  8
4  21  8
4  8  8
5  21  8
5  9  8
6  15  8
6  8  8
6  9  8
7  12  8
7  13  8

$$$$