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

Systemtic Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-(cyclopropylmethyl)-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)xanthine Formula: C25H24N4O5 MolecularWeight: 460.48186

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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)CC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC(=CC=C4)OC)CC5CC5

InChI

InChI=1S/C25H24N4O5/c1-33-19-7-3-5-17(11-19)21(30)14-27-15-26-23-22(27)24(31)28(13-16-9-10-16)25(32)29(23)18-6-4-8-20(12-18)34-2/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3