N-[3,4-bis(fluoranyl)phenyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(3,4-difluorophenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3,4-difluorophenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C17H18F2N4OS MolecularWeight: 364.412826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H18F2N4OS/c18-13-5-4-12(8-14(13)19)22-16(24)10-25-17-9-15(20-11-21-17)23-6-2-1-3-7-23/h4-5,8-9,11H,1-3,6-7,10H2,(H,22,24)