8-(3,5-dimethylpiperidin-1-yl)-7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-7-[3-[(4-fluorophenyl)thio]propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-7-[3-(4-fluorophenyl)sulfanylpropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-7-[3-[(4-fluorophenyl)thio]propyl]-3-methyl-xanthine Formula: C22H28FN5O2S MolecularWeight: 445.553423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=CC=C(C=C4)F)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=CC=C(C=C4)F)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C22H28FN5O2S/c1-14-11-15(2)13-27(12-14)21-24-19-18(20(29)25-22(30)26(19)3)28(21)9-4-10-31-17-7-5-16(23)6-8-17/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,29,30)