methyl 4-azanyl-6-methyl-3-methylsulfanyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate

Systemtic Name: methyl 4-azanyl-6-methyl-3-methylsulfanyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: methyl 4-amino-6-methyl-3-methylsulfanyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate CAS Name: 4-amino-6-methyl-3-(methylthio)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid methyl ester IUPAC Name: methyl 4-amino-6-methyl-3-methylsulfanyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Traditional Name: 4-amino-6-methyl-3-(methylthio)-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid methyl ester Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](NC(=C2C(=C1C(=O)OC)N)SC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=[N+](NC(=C2C(=C1C(=O)OC)N)SC)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O2S/c1-9-11(16(21)22-2)13(17)12-14(18-9)20(19-15(12)23-3)10-7-5-4-6-8-10/h4-8H,1-3H3,(H2,17,18,19,21)/p+1