7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)-2-keto-ethyl]-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C19H22ClN6O3+ MolecularWeight: 417.86938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2CC(=O)C4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H21ClN6O3/c1-23-7-9-25(10-8-23)18-21-16-15(17(28)22-19(29)24(16)2)26(18)11-14(27)12-3-5-13(20)6-4-12/h3-6H,7-11H2,1-2H3,(H,22,28,29)/p+1