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

Systemtic Name: 7-cyclopentyl-1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(2-thienyl)ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-(2-oxo-2-thiophen-2-ylethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-keto-2-(2-thienyl)ethyl]xanthine Formula: C23H22N4O3S MolecularWeight: 434.51078

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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)C5=CC=CS5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C5=CC=CS5

InChI

InChI=1S/C23H22N4O3S/c28-18(19-11-6-12-31-19)14-26-22(29)20-21(24-15-27(20)17-9-4-5-10-17)25(23(26)30)13-16-7-2-1-3-8-16/h1-3,6-8,11-12,15,17H,4-5,9-10,13-14H2