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

Systemtic Name: 7-cyclopentyl-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-(2-oxo-2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-(2-keto-2-piperidino-ethyl)xanthine Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H29N5O3/c30-20(26-13-7-2-8-14-26)16-28-23(31)21-22(25-17-29(21)19-11-5-6-12-19)27(24(28)32)15-18-9-3-1-4-10-18/h1,3-4,9-10,17,19H,2,5-8,11-16H2