(Z)-2-fluoranyl-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (Z)-2-fluoranyl-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (Z)-2-fluoro-1-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-3-phenyl-prop-2-en-1-one CAS Name: (Z)-2-fluoro-1-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (Z)-2-fluoro-1-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (Z)-2-fluoro-1-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]-3-phenyl-prop-2-en-1-one Formula: C25H25FN4OS MolecularWeight: 448.555603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C(=CC3=CC=CC=C3)F)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)/C(=C/C3=CC=CC=C3)/F)SCC4=CN=CC=C4

InChI

InChI=1S/C25H25FN4OS/c1-18-14-28-25(32-17-20-9-5-11-27-15-20)29-23(18)21-10-6-12-30(16-21)24(31)22(26)13-19-7-3-2-4-8-19/h2-5,7-9,11,13-15,21H,6,10,12,16-17H2,1H3/b22-13-