N-[(6-ethoxy-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-8-ethyl-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine

Systemtic Name: N-[(6-ethoxy-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]-8-ethyl-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine Openeye Name: N-[(6-ethoxy-1-oxido-pyridin-1-ium-3-yl)methyl]-8-ethyl-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine CAS Name: N-[(6-ethoxy-1-oxido-3-pyridin-1-iumyl)methyl]-8-ethyl-2-(methylthio)-4-pyrazolo[1,5-a][1,3,5]triazinamine IUPAC Name: N-[(6-ethoxy-1-oxidopyridin-1-ium-3-yl)methyl]-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine Traditional Name: (6-ethoxy-1-oxido-pyridin-1-ium-3-yl)methyl-[8-ethyl-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amine Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2S/c1-4-12-9-18-22-14(12)19-16(25-3)20-15(22)17-8-11-6-7-13(24-5-2)21(23)10-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19,20)