1-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)-1,4-diazepan-4-ium Openeye Name: 1-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)-1,4-diazepan-4-ium CAS Name: 1-[6-methyl-2-(methylthio)-4-pyrimidinyl]-1,4-diazepan-4-ium IUPAC Name: 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-4-ium Traditional Name: 1-[6-methyl-2-(methylthio)pyrimidin-4-yl]-1,4-diazepan-4-ium Formula: C11H19N4S+ MolecularWeight: 239.36036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC(=NC(=N1)SC)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H18N4S/c1-9-8-10(14-11(13-9)16-2)15-6-3-4-12-5-7-15/h8,12H,3-7H2,1-2H3/p+1