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

Systemtic Name: 1-(2-methoxyethyl)-7-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione Openeye Name: 1-(2-methoxyethyl)-7-[(3-methoxyphenyl)methyl]-3-(o-tolyl)purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-7-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-7-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione Traditional Name: 7-m-anisyl-1-(2-methoxyethyl)-3-(o-tolyl)xanthine Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CCOC)N(C=N3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H24N4O4/c1-16-7-4-5-10-19(16)27-21-20(22(28)26(23(27)29)11-12-30-2)25(15-24-21)14-17-8-6-9-18(13-17)31-3/h4-10,13,15H,11-12,14H2,1-3H3