N'-[(4-bromophenyl)methyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide

Systemtic Name: N'-[(4-bromophenyl)methyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide Openeye Name: N'-[(4-bromophenyl)methyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamidine CAS Name: N'-[(4-bromophenyl)methyl]-N-cyano-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboximidamide IUPAC Name: N'-[(4-bromophenyl)methyl]-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboximidamide Traditional Name: N'-(4-bromobenzyl)-N-cyano-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamidine Formula: C23H24BrN7O2 MolecularWeight: 510.38636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCC4=CC=C(C=C4)Br)NC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCC4=CC=C(C=C4)Br)NC#N)OC

InChI

InChI=1S/C23H24BrN7O2/c1-32-20-11-18-19(12-21(20)33-2)28-15-29-22(18)30-7-9-31(10-8-30)23(27-14-25)26-13-16-3-5-17(24)6-4-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,26,27)