N-(1-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-4-(8-oxidanylidene-9H-purin-7-yl)piperidine-1-carboxamide

Systemtic Name: N-(1-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-4-(8-oxidanylidene-9H-purin-7-yl)piperidine-1-carboxamide Openeye Name: N-(1-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide CAS Name: N-(1-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-4-(8-oxo-9H-purin-7-yl)-1-piperidinecarboxamide IUPAC Name: N-(1-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-4-(8-oxo-9H-purin-7-yl)piperidine-1-carboxamide Traditional Name: 4-(8-keto-9H-purin-7-yl)-N-(1-methyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)piperidine-1-carboxamide Formula: C29H27N9O2 MolecularWeight: 533.58378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=CC=CC=C3C(=NC2NC(=O)N4CCC(CC4)N5C6=CN=CN=C6NC5=O)C7=CC=CC=C7

Isomeric SMILES

CC1=CN=C2N1C3=CC=CC=C3C(=NC2NC(=O)N4CCC(CC4)N5C6=CN=CN=C6NC5=O)C7=CC=CC=C7

InChI

InChI=1S/C29H27N9O2/c1-18-15-31-27-26(33-24(19-7-3-2-4-8-19)21-9-5-6-10-22(21)37(18)27)35-28(39)36-13-11-20(12-14-36)38-23-16-30-17-32-25(23)34-29(38)40/h2-10,15-17,20,26H,11-14H2,1H3,(H,35,39)(H,30,32,34,40)