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

Systemtic Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-[4-(4-fluorophenyl)-1-piperazinyl]-3-methyl-7-[2-methyl-3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-[4-(4-fluorophenyl)piperazino]-3-methyl-7-[2-methyl-3-(phenylthio)propyl]xanthine Formula: C26H29FN6O2S MolecularWeight: 508.610863

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)F)N(C(=O)NC2=O)C)CSC5=CC=CC=C5

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)F)N(C(=O)NC2=O)C)CSC5=CC=CC=C5

InChI

InChI=1S/C26H29FN6O2S/c1-18(17-36-21-6-4-3-5-7-21)16-33-22-23(30(2)26(35)29-24(22)34)28-25(33)32-14-12-31(13-15-32)20-10-8-19(27)9-11-20/h3-11,18H,12-17H2,1-2H3,(H,29,34,35)