(E)-2-[2-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-pyrimidin-4-ylsulfanyl-ethyl]hex-4-enamide

Systemtic Name: (E)-2-[2-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-pyrimidin-4-ylsulfanyl-ethyl]hex-4-enamide Openeye Name: (E)-2-[2-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]-2-pyrimidin-4-ylsulfanyl-ethyl]hex-4-enamide CAS Name: (E)-2-[2-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-(4-pyrimidinylthio)ethyl]-4-hexenamide IUPAC Name: (E)-2-[2-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-pyrimidin-4-ylsulfanylethyl]hex-4-enamide Traditional Name: (E)-2-[2-[[4-(piperidinomethyl)-2-pyridyl]oxy]-2-(4-pyrimidylthio)ethyl]hex-4-enamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SC3=NC=NC=C3)C(=O)N

Isomeric SMILES

C/C=C/CC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SC3=NC=NC=C3)C(=O)N

InChI

InChI=1S/C23H31N5O2S/c1-2-3-7-19(23(24)29)15-22(31-21-9-10-25-17-27-21)30-20-14-18(8-11-26-20)16-28-12-5-4-6-13-28/h2-3,8-11,14,17,19,22H,4-7,12-13,15-16H2,1H3,(H2,24,29)/b3-2+