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

Systemtic Name: 7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)-1-(2-methylpropyl)purine-2,6-dione Openeye Name: 1-isobutyl-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-3-(p-tolyl)purine-2,6-dione CAS Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-methylphenyl)-1-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-methylphenyl)-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-isobutyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(p-tolyl)xanthine Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-16(2)13-28-24(31)22-23(29(25(28)32)19-10-8-17(3)9-11-19)26-15-27(22)14-21(30)18-6-5-7-20(12-18)33-4/h5-12,15-16H,13-14H2,1-4H3