N-[4-(2-fluorophenyl)-1-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]ethanamide

Systemtic Name: N-[4-(2-fluorophenyl)-1-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]ethanamide Openeye Name: N-[4-(2-fluorophenyl)-1-[(2-propylsulfanylpyrimidin-5-yl)methyl]-4-piperidyl]acetamide CAS Name: N-[4-(2-fluorophenyl)-1-[[2-(propylthio)-5-pyrimidinyl]methyl]-4-piperidinyl]acetamide IUPAC Name: N-[4-(2-fluorophenyl)-1-[(2-propylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]acetamide Traditional Name: N-[4-(2-fluorophenyl)-1-[[2-(propylthio)pyrimidin-5-yl]methyl]-4-piperidyl]acetamide Formula: C21H27FN4OS MolecularWeight: 402.528683

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C=N1)CN2CCC(CC2)(C3=CC=CC=C3F)NC(=O)C

Isomeric SMILES

CCCSC1=NC=C(C=N1)CN2CCC(CC2)(C3=CC=CC=C3F)NC(=O)C

InChI

InChI=1S/C21H27FN4OS/c1-3-12-28-20-23-13-17(14-24-20)15-26-10-8-21(9-11-26,25-16(2)27)18-6-4-5-7-19(18)22/h4-7,13-14H,3,8-12,15H2,1-2H3,(H,25,27)