7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[3-[(4-fluorophenyl)thio]propyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[3-[(4-fluorophenyl)thio]propyl]-3-methyl-8-piperidino-xanthine Formula: C20H24FN5O2S MolecularWeight: 417.500263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C20H24FN5O2S/c1-24-17-16(18(27)23-20(24)28)26(19(22-17)25-10-3-2-4-11-25)12-5-13-29-15-8-6-14(21)7-9-15/h6-9H,2-5,10-13H2,1H3,(H,23,27,28)