7-cyclopentyl-1-[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-keto-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl]xanthine Formula: C28H27N5O4 MolecularWeight: 497.54508

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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=CC6=C(C=C5)NC(=O)CC6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C5=CC6=C(C=C5)NC(=O)CC6

InChI

InChI=1S/C28H27N5O4/c34-23(20-10-12-22-19(14-20)11-13-24(35)30-22)16-32-27(36)25-26(29-17-33(25)21-8-4-5-9-21)31(28(32)37)15-18-6-2-1-3-7-18/h1-3,6-7,10,12,14,17,21H,4-5,8-9,11,13,15-16H2,(H,30,35)