5-chloranyl-4-ethyl-pyrimidine; 5-methylsulfanylazocane

Systemtic Name: 5-chloranyl-4-ethyl-pyrimidine; 5-methylsulfanylazocane Openeye Name: 5-chloro-4-ethyl-pyrimidine; 5-methylsulfanylazocane CAS Name: 5-chloro-4-ethylpyrimidine; 5-(methylthio)azocane IUPAC Name: 5-chloro-4-ethylpyrimidine; 5-methylsulfanylazocane Traditional Name: 5-chloro-4-ethyl-pyrimidine; 5-(methylthio)azocane Formula: C14H24ClN3S MolecularWeight: 301.87846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=NC=C1Cl.CSC1CCCNCCC1

Isomeric SMILES

CCC1=NC=NC=C1Cl.CSC1CCCNCCC1

InChI

InChI=1S/C8H17NS.C6H7ClN2/c1-10-8-4-2-6-9-7-3-5-8;1-2-6-5(7)3-8-4-9-6/h8-9H,2-7H2,1H3;3-4H,2H2,1H3