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

Systemtic Name: 7-(3-methylbutyl)-1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isopentyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 7-(3-methylbutyl)-1-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methylbutyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-isoamyl-1-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]xanthine Formula: C22H26N6O4 MolecularWeight: 438.47964

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)N4CCNC4=O

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCNC4=O

InChI

InChI=1S/C22H26N6O4/c1-15(2)8-10-25-14-24-19-18(25)20(30)28(13-17(29)26-11-9-23-21(26)31)22(32)27(19)12-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,23,31)