N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)CSC1=NC=CC=N1)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(CCNC(=O)CSC1=NC=CC=N1)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C19H28N4OS/c1-5-23(14-8-6-7-10-19(2,3)4)15-13-20-17(24)16-25-18-21-11-9-12-22-18/h6,8-9,11-12H,5,13-16H2,1-4H3,(H,20,24)/b8-6+