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

Systemtic Name: 7-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-3-(p-tolyl)purine-2,6-dione CAS Name: 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(4-methylphenyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(4-methylphenyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-[2-(2,4-dimethylphenyl)-2-keto-ethyl]-3-(p-tolyl)xanthine Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CC(=O)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CC(=O)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C25H24N4O3/c1-5-12-28-24(31)22-23(29(25(28)32)19-9-6-16(2)7-10-19)26-15-27(22)14-21(30)20-11-8-17(3)13-18(20)4/h5-11,13,15H,1,12,14H2,2-4H3