7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-cyclopentyl-3-(2-methylphenyl)purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-cyclopentyl-3-(2-methylphenyl)purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-cyclopentyl-3-(o-tolyl)purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-cyclopentyl-3-(2-methylphenyl)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-cyclopentyl-3-(2-methylphenyl)purine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)-2-keto-ethyl]-1-cyclopentyl-3-(o-tolyl)xanthine Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCC4)N(C=N3)CC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H23ClN4O3/c1-16-6-2-5-9-20(16)30-23-22(24(32)29(25(30)33)19-7-3-4-8-19)28(15-27-23)14-21(31)17-10-12-18(26)13-11-17/h2,5-6,9-13,15,19H,3-4,7-8,14H2,1H3