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

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

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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)CCCSC5=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN8O2S/c1-29-19-18(20(33)28-23(29)34)32(10-3-15-35-21-25-8-2-9-26-21)22(27-19)31-13-11-30(12-14-31)17-6-4-16(24)5-7-17/h2,4-9H,3,10-15H2,1H3,(H,28,33,34)