3-ethyl-8-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione

Systemtic Name: 3-ethyl-8-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione Openeye Name: 3-ethyl-8-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione CAS Name: 3-ethyl-8-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione IUPAC Name: 3-ethyl-8-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione Traditional Name: 3-ethyl-8-[[2-(4-methyl-1,4-diazepan-1-yl)benzyl]amino]-1H-imidazo[4,5-g]quinazoline-2-thione Formula: C24H29N7S MolecularWeight: 447.59896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4N5CCCN(CC5)C)NC1=S

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4N5CCCN(CC5)C)NC1=S

InChI

InChI=1S/C24H29N7S/c1-3-31-22-14-19-18(13-20(22)28-24(31)32)23(27-16-26-19)25-15-17-7-4-5-8-21(17)30-10-6-9-29(2)11-12-30/h4-5,7-8,13-14,16H,3,6,9-12,15H2,1-2H3,(H,28,32)(H,25,26,27)