67639193
  -OEChem-04252411382D

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M  END
> <PUBCHEM_COMPOUND_CID>
67639193

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
600

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACx9AAAHgAQAAAADCzBngYz9vdIFACgAyZiZACCiCkhIqAJmCA+7JiNbqLE+duUNCpuwBvK6Cew0NMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-benzhydrylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(diphenylmethyl)-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-benzhydrylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
2-(4-benzhydrylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(diphenylmethyl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(4-benzhydrylpiperazino)-6,7-dimethoxy-quinazolin-4-yl]amine;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H29N5O2.2ClH/c1-33-23-17-21-22(18-24(23)34-2)29-27(30-26(21)28)32-15-13-31(14-16-32)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20;;/h3-12,17-18,25H,13-16H2,1-2H3,(H2,28,29,30);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
LBLKPKYNCHEKGS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
527.1854806

> <PUBCHEM_MOLECULAR_FORMULA>
C27H31Cl2N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
528.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)OC.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)OC.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
76.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
527.1854806

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  18  8
15  20  8
16  19  8
16  21  8
18  23  8
19  24  8
20  25  8
21  26  8
22  27  8
22  31  8
23  29  8
24  30  8
25  29  8
26  30  8
27  28  8
27  32  8
31  33  8
32  34  8
33  34  8
7  17  8
7  22  8
8  17  8
8  28  8

$$$$