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

Systemtic Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-fluorophenyl)sulfanylethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-[(4-fluorophenyl)thio]ethyl]-3-methyl-8-piperidino-xanthine Formula: C19H22FN5O2S MolecularWeight: 403.473683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C19H22FN5O2S/c1-23-16-15(17(26)22-19(23)27)25(18(21-16)24-9-3-2-4-10-24)11-12-28-14-7-5-13(20)6-8-14/h5-8H,2-4,9-12H2,1H3,(H,22,26,27)