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

Systemtic Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]-2-(2-pyrimidylthio)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H27N5O2S/c27-19(17-29-21-24-9-6-10-25-21)22-8-2-5-14-28-20-15-18(7-11-23-20)16-26-12-3-1-4-13-26/h2,5-7,9-11,15H,1,3-4,8,12-14,16-17H2,(H,22,27)/b5-2+