8-ethyl-2-methylsulfanyl-N-[(1-oxidanylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

Systemtic Name: 8-ethyl-2-methylsulfanyl-N-[(1-oxidanylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine Openeye Name: 8-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine CAS Name: 8-ethyl-N-[(1-hydroxy-3-pyridin-1-iumyl)methyl]-2-(methylthio)-4-pyrazolo[1,5-a][1,3,5]triazinamine IUPAC Name: 8-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine Traditional Name: [8-ethyl-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-[(1-hydroxypyridin-1-ium-3-yl)methyl]amine Formula: C14H17N6OS+ MolecularWeight: 317.38938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2N=C(N=C(N2N=C1)NCC3=C[N+](=CC=C3)O)SC

Isomeric SMILES

CCC1=C2N=C(N=C(N2N=C1)NCC3=C[N+](=CC=C3)O)SC

InChI

InChI=1S/C14H17N6OS/c1-3-11-8-16-20-12(11)17-14(22-2)18-13(20)15-7-10-5-4-6-19(21)9-10/h4-6,8-9,21H,3,7H2,1-2H3,(H,15,17,18)/q+1