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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCSC5=NC=CC=N5

InChI

InChI=1S/C23H25ClN8O2S/c1-29-19-18(20(33)28-23(29)34)32(9-4-14-35-21-25-7-3-8-26-21)22(27-19)31-12-10-30(11-13-31)17-6-2-5-16(24)15-17/h2-3,5-8,15H,4,9-14H2,1H3,(H,28,33,34)