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

Systemtic Name: 3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(3-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=C4)OC)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O5/c1-4-11-27-23(30)21-22(28(24(27)31)17-8-6-10-19(13-17)33-3)25-15-26(21)14-20(29)16-7-5-9-18(12-16)32-2/h4-10,12-13,15H,1,11,14H2,2-3H3