N-(5-chloranyl-2-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetamide Formula: C16H17ClN5O3+ MolecularWeight: 362.79088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16ClN5O3/c1-9-4-5-10(17)6-11(9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2/h4-6,8H,7H2,1-3H3,(H,19,23)/p+1