1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3-benzyl-7-ethyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-benzyl-7-ethylpurine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3-benzyl-7-ethyl-xanthine Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC(=C4)C(=O)C)OC

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC(=C4)C(=O)C)OC

InChI

InChI=1S/C24H24N4O4/c1-4-26-15-25-22-21(26)23(30)28(24(31)27(22)13-17-8-6-5-7-9-17)14-19-12-18(16(2)29)10-11-20(19)32-3/h5-12,15H,4,13-14H2,1-3H3