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

Systemtic Name: 1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3-benzyl-7-isobutyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-benzyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3-benzyl-7-isobutyl-xanthine Formula: C26H28N4O4 MolecularWeight: 460.52492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC(=C4)C(=O)C)OC

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(C=CC(=C4)C(=O)C)OC

InChI

InChI=1S/C26H28N4O4/c1-17(2)13-28-16-27-24-23(28)25(32)30(26(33)29(24)14-19-8-6-5-7-9-19)15-21-12-20(18(3)31)10-11-22(21)34-4/h5-12,16-17H,13-15H2,1-4H3