N-(3-chloranyl-4-cyano-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetamide Formula: C16H14ClN6O3+ MolecularWeight: 373.77376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C16H13ClN6O3/c1-21-14-13(15(25)22(2)16(21)26)23(8-19-14)7-12(24)20-10-4-3-9(6-18)11(17)5-10/h3-5,8H,7H2,1-2H3,(H,20,24)/p+1