3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C24H27N7O2S MolecularWeight: 477.58188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCSC5=NC=CC=N5

InChI

InChI=1S/C24H27N7O2S/c1-29-20-19(21(32)28-24(29)33)31(14-15-34-22-25-10-5-11-26-22)23(27-20)30-12-8-18(9-13-30)16-17-6-3-2-4-7-17/h2-7,10-11,18H,8-9,12-16H2,1H3,(H,28,32,33)