4,5-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine; hydron; chloride

Systemtic Name: 4,5-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine; hydron; chloride Openeye Name: 4,5-dimethyl-2-[2-(4-pyridyl)ethylsulfanyl]pyrimidine; hydron; chloride CAS Name: 4,5-dimethyl-2-(2-pyridin-4-ylethylthio)pyrimidine; hydron; chloride IUPAC Name: 4,5-dimethyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine; hydron; chloride Traditional Name: 4,5-dimethyl-2-[2-(4-pyridyl)ethylthio]pyrimidine; hydron; chloride Formula: C13H16ClN3S MolecularWeight: 281.80424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=CN=C(N=C1C)SCCC2=CC=NC=C2.[Cl-]

Isomeric SMILES

[H+].CC1=CN=C(N=C1C)SCCC2=CC=NC=C2.[Cl-]

InChI

InChI=1S/C13H15N3S.ClH/c1-10-9-15-13(16-11(10)2)17-8-5-12-3-6-14-7-4-12;/h3-4,6-7,9H,5,8H2,1-2H3;1H