8-chloranyl-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-chloranyl-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-chloro-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-chloro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-chloro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C16H16ClN4O4+ MolecularWeight: 363.77564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H15ClN4O4/c1-19-13-12(14(23)20(2)16(19)24)21(15(17)18-13)8-11(22)9-4-6-10(25-3)7-5-9/h4-7H,8H2,1-3H3/p+1