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

Systemtic Name: 1-cyclopropyl-3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1-cyclopropyl-3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-cyclopropyl-3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1-cyclopropyl-3-(2-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-cyclopropyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)xanthine Formula: C24H22N4O5 MolecularWeight: 446.45528

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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=C4OC)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)C5CC5

InChI

InChI=1S/C24H22N4O5/c1-32-17-7-5-6-15(12-17)19(29)13-26-14-25-22-21(26)23(30)27(16-10-11-16)24(31)28(22)18-8-3-4-9-20(18)33-2/h3-9,12,14,16H,10-11,13H2,1-2H3