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

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-[4-(3-chlorophenyl)piperazino]-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]xanthine Formula: C24H27ClN8O2S MolecularWeight: 527.04158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C)CSC5=NC=CC=N5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C)CSC5=NC=CC=N5

InChI

InChI=1S/C24H27ClN8O2S/c1-16(15-36-22-26-7-4-8-27-22)14-33-19-20(30(2)24(35)29-21(19)34)28-23(33)32-11-9-31(10-12-32)18-6-3-5-17(25)13-18/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,29,34,35)