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

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]xanthine Formula: C24H26N8O3 MolecularWeight: 474.51504

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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=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C24H26N8O3/c1-2-28-17-27-21-20(28)22(34)32(24(35)31(21)15-18-7-4-3-5-8-18)16-19(33)29-11-13-30(14-12-29)23-25-9-6-10-26-23/h3-10,17H,2,11-16H2,1H3