1,6-dimethyl-N4-(4-methylsulfanylphenyl)pyrimidin-1-ium-2,4-diamine iodide

Systemtic Name: 1,6-dimethyl-N4-(4-methylsulfanylphenyl)pyrimidin-1-ium-2,4-diamine iodide Openeye Name: 1,6-dimethyl-N4-(4-methylsulfanylphenyl)pyrimidin-1-ium-2,4-diamine iodide CAS Name: 1,6-dimethyl-N4-[4-(methylthio)phenyl]pyrimidin-1-ium-2,4-diamine iodide IUPAC Name: 1,6-dimethyl-4-N-(4-methylsulfanylphenyl)pyrimidin-1-ium-2,4-diamine iodide Traditional Name: (2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)-[4-(methylthio)phenyl]amine iodide Formula: C13H17IN4S MolecularWeight: 388.27035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)N)NC2=CC=C(C=C2)SC.[I-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)N)NC2=CC=C(C=C2)SC.[I-]

InChI

InChI=1S/C13H16N4S.HI/c1-9-8-12(16-13(14)17(9)2)15-10-4-6-11(18-3)7-5-10;/h4-8H,1-3H3,(H2,14,15,16);1H