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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCSC5=NC=CC=N5

InChI

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