8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-methyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-methyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C23H25ClN8O2S MolecularWeight: 513.015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CCSC5=NC=CC=N5)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CCSC5=NC=CC=N5)C(=O)NC(=O)N4C

InChI

InChI=1S/C23H25ClN8O2S/c1-15-4-5-16(24)14-17(15)30-8-10-31(11-9-30)22-27-19-18(20(33)28-23(34)29(19)2)32(22)12-13-35-21-25-6-3-7-26-21/h3-7,14H,8-13H2,1-2H3,(H,28,33,34)