N-(2-chloranyl-5-methyl-phenyl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxidanylidene-butanamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxidanylidene-butanamide Openeye Name: N-(2-chloro-5-methyl-phenyl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxo-butanamide CAS Name: N-(2-chloro-5-methylphenyl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxobutanamide IUPAC Name: N-(2-chloro-5-methylphenyl)-2-(6-methyl-7H-purin-9-ium-9-yl)-3-oxobutanamide Traditional Name: N-(2-chloro-5-methyl-phenyl)-3-keto-2-(6-methyl-7H-purin-9-ium-9-yl)butyramide Formula: C17H17ClN5O2+ MolecularWeight: 358.80218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C)[N+]2=CNC3=C(N=CN=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C)[N+]2=CNC3=C(N=CN=C32)C

InChI

InChI=1S/C17H16ClN5O2/c1-9-4-5-12(18)13(6-9)22-17(25)15(11(3)24)23-8-21-14-10(2)19-7-20-16(14)23/h4-8,15H,1-3H3,(H,22,25)/p+1