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

Systemtic Name: N-(2-chlorophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide CAS Name: N-(2-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide IUPAC Name: N-(2-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide Traditional Name: N-(2-chlorophenyl)-2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetamide Formula: C15H15ClN5O3+ MolecularWeight: 348.7643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C15H14ClN5O3/c1-19-13-12(14(23)20(2)15(19)24)21(8-17-13)7-11(22)18-10-6-4-3-5-9(10)16/h3-6,8H,7H2,1-2H3,(H,18,22)/p+1