N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-4-pyrimidin-4-ylsulfanyl-butanamide

Systemtic Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-4-pyrimidin-4-ylsulfanyl-butanamide Openeye Name: N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]-4-pyrimidin-4-ylsulfanyl-butanamide CAS Name: N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]-4-(4-pyrimidinylthio)butanamide IUPAC Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-4-pyrimidin-4-ylsulfanylbutanamide Traditional Name: N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]-4-(4-pyrimidylthio)butyramide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CCCSC3=NC=NC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC(=O)CCCSC3=NC=NC=C3

InChI

InChI=1S/C23H31N5O2S/c29-21(7-6-16-31-23-9-11-24-19-27-23)25-10-2-5-15-30-22-17-20(8-12-26-22)18-28-13-3-1-4-14-28/h2,5,8-9,11-12,17,19H,1,3-4,6-7,10,13-16,18H2,(H,25,29)/b5-2+