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

Systemtic Name: 8-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-[4-(2-fluorophenyl)-1-piperazinyl]-3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-[4-(2-fluorophenyl)piperazino]-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]xanthine Formula: C24H27FN8O2S MolecularWeight: 510.586983

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4F)N(C(=O)NC2=O)C)CSC5=NC=CC=N5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4F)N(C(=O)NC2=O)C)CSC5=NC=CC=N5

InChI

InChI=1S/C24H27FN8O2S/c1-16(15-36-22-26-8-5-9-27-22)14-33-19-20(30(2)24(35)29-21(19)34)28-23(33)32-12-10-31(11-13-32)18-7-4-3-6-17(18)25/h3-9,16H,10-15H2,1-2H3,(H,29,34,35)