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

Systemtic Name: (E)-2-[2-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-pyrimidin-2-ylsulfinyl-ethyl]hex-4-enamide Openeye Name: (E)-2-[2-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]-2-pyrimidin-2-ylsulfinyl-ethyl]hex-4-enamide CAS Name: (E)-2-[2-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-(2-pyrimidinylsulfinyl)ethyl]-4-hexenamide IUPAC Name: (E)-2-[2-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-2-pyrimidin-2-ylsulfinylethyl]hex-4-enamide Traditional Name: (E)-2-[2-[[4-(piperidinomethyl)-2-pyridyl]oxy]-2-(2-pyrimidylsulfinyl)ethyl]hex-4-enamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(OC1=NC=CC(=C1)CN2CCCCC2)S(=O)C3=NC=CC=N3)C(=O)N

Isomeric SMILES

C/C=C/CC(CC(OC1=NC=CC(=C1)CN2CCCCC2)S(=O)C3=NC=CC=N3)C(=O)N

InChI

InChI=1S/C23H31N5O3S/c1-2-3-8-19(22(24)29)16-21(32(30)23-26-10-7-11-27-23)31-20-15-18(9-12-25-20)17-28-13-5-4-6-14-28/h2-3,7,9-12,15,19,21H,4-6,8,13-14,16-17H2,1H3,(H2,24,29)/b3-2+