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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN4O3/c1-3-12-27-22(30)20-21(28(23(27)31)18-7-5-4-6-15(18)2)25-14-26(20)13-19(29)16-8-10-17(24)11-9-16/h3-11,14H,1,12-13H2,2H3