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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetamide Formula: C16H17ClN5O4+ MolecularWeight: 378.79028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O4/c1-20-14-13(15(24)21(2)16(20)25)22(8-18-14)7-12(23)19-10-6-9(17)4-5-11(10)26-3/h4-6,8H,7H2,1-3H3,(H,19,23)/p+1