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

Systemtic Name: 7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-cyclohexyl-3-(2-methylphenyl)purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-cyclohexyl-3-(o-tolyl)purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-cyclohexyl-3-(2-methylphenyl)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-cyclohexyl-3-(2-methylphenyl)purine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)-2-keto-ethyl]-1-cyclohexyl-3-(o-tolyl)xanthine Formula: C26H25ClN4O3 MolecularWeight: 476.9547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCCC4)N(C=N3)CC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)C4CCCCC4)N(C=N3)CC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H25ClN4O3/c1-17-7-5-6-10-21(17)31-24-23(25(33)30(26(31)34)20-8-3-2-4-9-20)29(16-28-24)15-22(32)18-11-13-19(27)14-12-18/h5-7,10-14,16,20H,2-4,8-9,15H2,1H3