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

Systemtic Name: 7-cyclopentyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-(2-keto-2-pyrrolidino-ethyl)xanthine Formula: C23H27N5O3 MolecularWeight: 421.49218

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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)N5CCCC5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCCC5

InChI

InChI=1S/C23H27N5O3/c29-19(25-12-6-7-13-25)15-27-22(30)20-21(24-16-28(20)18-10-4-5-11-18)26(23(27)31)14-17-8-2-1-3-9-17/h1-3,8-9,16,18H,4-7,10-15H2