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

Systemtic Name: 7-cyclopentyl-1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]xanthine Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCNC5=O

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCNC5=O

InChI

InChI=1S/C22H24N6O4/c29-17(25-11-10-23-21(25)31)13-27-20(30)18-19(24-14-28(18)16-8-4-5-9-16)26(22(27)32)12-15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2,(H,23,31)