6-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione

Systemtic Name: 6-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione Openeye Name: 6-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione CAS Name: 6-[[2-(1-azepanyl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione IUPAC Name: 6-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione Traditional Name: 6-[[2-(azepan-1-yl)benzyl]amino]-3-ethyl-1H-imidazo[4,5-g]quinazoline-2-thione Formula: C24H28N6S MolecularWeight: 432.58432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C=NC(=NC3=C2)NCC4=CC=CC=C4N5CCCCCC5)NC1=S

Isomeric SMILES

CCN1C2=C(C=C3C=NC(=NC3=C2)NCC4=CC=CC=C4N5CCCCCC5)NC1=S

InChI

InChI=1S/C24H28N6S/c1-2-30-22-14-19-18(13-20(22)28-24(30)31)16-26-23(27-19)25-15-17-9-5-6-10-21(17)29-11-7-3-4-8-12-29/h5-6,9-10,13-14,16H,2-4,7-8,11-12,15H2,1H3,(H,28,31)(H,25,26,27)