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

Systemtic Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(4-fluorophenyl)-1-piperazinyl]-1,3-dimethyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(4-fluorophenyl)piperazino]-1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C23H25FN8O2S MolecularWeight: 496.560403

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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=C(C=C4)F)CCSC5=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN8O2S/c1-28-19-18(20(33)29(2)23(28)34)32(14-15-35-21-25-8-3-9-26-21)22(27-19)31-12-10-30(11-13-31)17-6-4-16(24)5-7-17/h3-9H,10-15H2,1-2H3