7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-(4-phenylphenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-(4-phenylphenyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-(4-phenylphenyl)xanthine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)CCOC

InChI

InChI=1S/C24H26N4O3/c1-16(2)15-28-22-20(23(29)26-24(28)30)27(13-14-31-3)21(25-22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3,(H,26,29,30)