7-ethyl-1-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]xanthine Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H27N7O3/c1-2-28-18-27-23-22(28)24(34)32(25(35)31(23)16-19-8-4-3-5-9-19)17-21(33)30-14-12-29(13-15-30)20-10-6-7-11-26-20/h3-11,18H,2,12-17H2,1H3