4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylbutan-2-one

Systemtic Name: 4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylbutan-2-one Openeye Name: 4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylbutan-2-one CAS Name: 4-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-2-butanone IUPAC Name: 4-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylbutan-2-one Traditional Name: 4-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]butan-2-one Formula: C14H23N4OS+ MolecularWeight: 295.42362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4OS/c1-11-10-13(18-7-5-17(3)6-8-18)16-14(15-11)20-9-4-12(2)19/h10H,4-9H2,1-3H3/p+1