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

Systemtic Name: 8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1,3-dimethyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazino]-1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C24H27ClN8O2S MolecularWeight: 527.04158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN8O2S/c1-16-5-6-17(25)15-18(16)31-9-11-32(12-10-31)23-28-20-19(21(34)30(3)24(35)29(20)2)33(23)13-14-36-22-26-7-4-8-27-22/h4-8,15H,9-14H2,1-3H3