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

Systemtic Name: 1-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isopentyl-1-[2-(2-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-[2-(2-methoxyphenyl)-2-oxoethyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(2-methoxyphenyl)-2-oxoethyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isoamyl-1-[2-keto-2-(2-methoxyphenyl)ethyl]xanthine Formula: C26H28N4O4 MolecularWeight: 460.52492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H28N4O4/c1-18(2)13-14-28-17-27-24-23(28)25(32)30(16-21(31)20-11-7-8-12-22(20)34-3)26(33)29(24)15-19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3