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

Systemtic Name: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]xanthine Formula: C26H31N7O2S MolecularWeight: 505.63504

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C)CSC5=NC=CC=N5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C)CSC5=NC=CC=N5

InChI

InChI=1S/C26H31N7O2S/c1-18(17-36-24-27-11-6-12-28-24)16-33-21-22(31(2)26(35)30-23(21)34)29-25(33)32-13-9-20(10-14-32)15-19-7-4-3-5-8-19/h3-8,11-12,18,20H,9-10,13-17H2,1-2H3,(H,30,34,35)