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

Systemtic Name: ethyl 4-azanyl-6-methyl-3-methylsulfanyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1C)C3=CC=CC=C3)SC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N[N+](=C2N=C1C)C3=CC=CC=C3)SC)N

InChI

InChI=1S/C17H18N4O2S/c1-4-23-17(22)12-10(2)19-15-13(14(12)18)16(24-3)20-21(15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H2,18,19,20,22)/p+1