3-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]propanenitrile IUPAC Name: 3-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]propionitrile Formula: C13H20N5S+ MolecularWeight: 278.3964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC#N)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19N5S/c1-11-10-12(18-7-5-17(2)6-8-18)16-13(15-11)19-9-3-4-14/h10H,3,5-9H2,1-2H3/p+1