1,3-di(cyclobutyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-di(cyclobutyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-di(cyclobutyl)purine-2,6-dione CAS Name: 1,3-di(cyclobutyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-di(cyclobutyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-di(cyclobutyl)xanthine Formula: C20H22N4O2 MolecularWeight: 350.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C3=C(C(=O)N(C2=O)C4CCC4)N(C=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)N2C3=C(C(=O)N(C2=O)C4CCC4)N(C=N3)CC5=CC=CC=C5

InChI

InChI=1S/C20H22N4O2/c25-19-17-18(21-13-22(17)12-14-6-2-1-3-7-14)23(15-8-4-9-15)20(26)24(19)16-10-5-11-16/h1-3,6-7,13,15-16H,4-5,8-12H2