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

Systemtic Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(4-fluorophenyl)-1-piperazinyl]-3-methyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(4-fluorophenyl)piperazino]-3-methyl-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C22H23FN8O2S MolecularWeight: 482.533823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)CCSC5=NC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)CCSC5=NC=CC=N5

InChI

InChI=1S/C22H23FN8O2S/c1-28-18-17(19(32)27-22(28)33)31(13-14-34-20-24-7-2-8-25-20)21(26-18)30-11-9-29(10-12-30)16-5-3-15(23)4-6-16/h2-8H,9-14H2,1H3,(H,27,32,33)