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

Systemtic Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-[2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-[2-keto-2-(p-tolyl)ethyl]xanthine Formula: C23H19ClN4O3 MolecularWeight: 434.87496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)C5CC5

InChI

InChI=1S/C23H19ClN4O3/c1-14-6-8-15(9-7-14)19(29)12-26-13-25-21-20(26)22(30)27(16-10-11-16)23(31)28(21)18-5-3-2-4-17(18)24/h2-9,13,16H,10-12H2,1H3