67716628
  -OEChem-05112423362D

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M  END
> <PUBCHEM_COMPOUND_CID>
67716628

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
683

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAACx9AAAHgAAAAAADAzBnwYz1vcIFACgAyZiZACCiCkhIqAJmCA+7JiNbuLE+duUNCpuwBvK6Cew0PMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methyl]-N-phenyl-aniline

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-quinazolinyl]methyl]-N-phenylaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl]-<I>N</I>-phenylaniline

> <PUBCHEM_IUPAC_NAME>
N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl]-N-phenylaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methyl]-N-phenyl-aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinazolin-2-yl]methyl-diphenyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H29N3O4/c1-35-26-16-15-21(17-27(26)36-2)31-24-18-28(37-3)29(38-4)19-25(24)32-30(33-31)20-34(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,20H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
AOCIKYWWWJITMH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.3

> <PUBCHEM_EXACT_MASS>
507.21580641

> <PUBCHEM_MOLECULAR_FORMULA>
C31H29N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
507.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)CN(C4=CC=CC=C4)C5=CC=CC=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)CN(C4=CC=CC=C4)C5=CC=CC=C5)OC

> <PUBCHEM_CACTVS_TPSA>
65.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
507.21580641

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
12  17  8
13  20  8
13  21  8
14  22  8
14  24  8
15  23  8
15  25  8
16  18  8
17  19  8
18  19  8
20  26  8
21  27  8
22  29  8
23  30  8
24  31  8
25  32  8
26  28  8
27  28  8
29  33  8
30  34  8
31  33  8
32  34  8
6  10  8
6  11  8
7  11  8
7  12  8
9  10  8
9  12  8
9  16  8

$$$$