1-(2-methoxyethyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)purine-2,6-dione

Systemtic Name: 1-(2-methoxyethyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)purine-2,6-dione Openeye Name: 1-(2-methoxyethyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-3-(p-tolyl)purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-methylphenyl)purine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-methylphenyl)purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-methoxyphenyl)ethyl]-1-(2-methoxyethyl)-3-(p-tolyl)xanthine Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H24N4O5/c1-16-7-9-18(10-8-16)28-22-21(23(30)27(24(28)31)11-12-32-2)26(15-25-22)14-20(29)17-5-4-6-19(13-17)33-3/h4-10,13,15H,11-12,14H2,1-3H3