70650632
  -OEChem-04252406162D

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    2.8660    0.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -1.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0784   -1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553   -3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9270   -2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060   -1.3111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6639    2.3635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8161    2.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6546   -2.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4791   -1.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4604   -2.8535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  2 12  1  0  0  0  0
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  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5  8  2  0  0  0  0
  5 13  1  0  0  0  0
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  6  9  2  0  0  0  0
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  9 23  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70650632

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
349

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQAAAADAyBnwIz9vbIFACgAyZiZACCiCkhIqAJmCA27JiNLuLE+duENCpu0BvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,7-dimethoxy-2-methyl-N-phenyl-quinazolin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6,7-dimethoxy-2-methyl-N-phenyl-4-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,7-dimethoxy-2-methyl-<I>N</I>-phenylquinazolin-4-amine

> <PUBCHEM_IUPAC_NAME>
6,7-dimethoxy-2-methyl-N-phenylquinazolin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-2-methyl-N-phenyl-quinazolin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6,7-dimethoxy-2-methyl-quinazolin-4-yl)-phenyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H17N3O2/c1-11-18-14-10-16(22-3)15(21-2)9-13(14)17(19-11)20-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
FYRHPGLUVXXUMD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
295.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
295.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC(=C(C=C2C(=N1)NC3=CC=CC=C3)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC(=C(C=C2C(=N1)NC3=CC=CC=C3)OC)OC

> <PUBCHEM_CACTVS_TPSA>
56.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  12  8
11  12  8
14  16  8
14  17  8
16  18  8
17  19  8
18  20  8
19  20  8
4  13  8
4  7  8
5  13  8
5  8  8
6  7  8
6  8  8
6  9  8
7  10  8
9  11  8

$$$$