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

Systemtic Name: 1-cyclopentyl-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1-cyclopentyl-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-cyclopentyl-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1-cyclopentyl-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-cyclopentyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)xanthine Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC(=CC=C4)OC)C5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC(=CC=C4)OC)C5CCCC5

InChI

InChI=1S/C26H26N4O5/c1-34-20-11-5-7-17(13-20)22(31)15-28-16-27-24-23(28)25(32)30(18-8-3-4-9-18)26(33)29(24)19-10-6-12-21(14-19)35-2/h5-7,10-14,16,18H,3-4,8-9,15H2,1-2H3