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

Systemtic Name: 1-ethyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(4-methylphenyl)purine-2,6-dione Openeye Name: 1-ethyl-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-3-(p-tolyl)purine-2,6-dione CAS Name: 1-ethyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-methylphenyl)purine-2,6-dione IUPAC Name: 1-ethyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(4-methylphenyl)purine-2,6-dione Traditional Name: 1-ethyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-(p-tolyl)xanthine Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H22N4O4/c1-4-26-22(29)20-21(27(23(26)30)17-10-8-15(2)9-11-17)24-14-25(20)13-19(28)16-6-5-7-18(12-16)31-3/h5-12,14H,4,13H2,1-3H3