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

Systemtic Name: 3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1-(2-methylpropyl)purine-2,6-dione Openeye Name: 1-isobutyl-3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-isobutyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)xanthine Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC=CC=C4OC

InChI

InChI=1S/C25H26N4O5/c1-16(2)13-28-24(31)22-23(29(25(28)32)19-10-5-6-11-21(19)34-4)26-15-27(22)14-20(30)17-8-7-9-18(12-17)33-3/h5-12,15-16H,13-14H2,1-4H3