N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[1-[(3-fluorophenyl)methyl]-4-piperidyl]-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[1-[(3-fluorophenyl)methyl]-4-piperidinyl]-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[1-(3-fluorobenzyl)-4-piperidyl]-2-(methylthio)pyrimidine-5-carboxamide Formula: C18H21FN4OS MolecularWeight: 360.448943

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C(=O)NC2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CSC1=NC=C(C=N1)C(=O)NC2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H21FN4OS/c1-25-18-20-10-14(11-21-18)17(24)22-16-5-7-23(8-6-16)12-13-3-2-4-15(19)9-13/h2-4,9-11,16H,5-8,12H2,1H3,(H,22,24)