N-(2-chloranyl-5-methyl-phenyl)-3-(2,3-dihydroindol-1-yl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxidanylidene-propanamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-3-(2,3-dihydroindol-1-yl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxidanylidene-propanamide Openeye Name: N-(2-chloro-5-methyl-phenyl)-3-indolin-1-yl-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxo-propanamide CAS Name: N-(2-chloro-5-methylphenyl)-3-(2,3-dihydroindol-1-yl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxopropanamide IUPAC Name: N-(2-chloro-5-methylphenyl)-3-(2,3-dihydroindol-1-yl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxopropanamide Traditional Name: N-(2-chloro-5-methyl-phenyl)-3-indolin-1-yl-3-keto-2-(6-methyl-7H-purin-9-ium-9-yl)propionamide Formula: C24H22ClN6O2+ MolecularWeight: 461.92348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)N2CCC3=CC=CC=C32)[N+]4=CNC5=C(N=CN=C54)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)N2CCC3=CC=CC=C32)[N+]4=CNC5=C(N=CN=C54)C

InChI

InChI=1S/C24H21ClN6O2/c1-14-7-8-17(25)18(11-14)29-23(32)21(31-13-28-20-15(2)26-12-27-22(20)31)24(33)30-10-9-16-5-3-4-6-19(16)30/h3-8,11-13,21H,9-10H2,1-2H3,(H,29,32)/p+1