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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=[N+](NC(=C2C(=C1C(=O)OC)N)SC)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=[N+](NC(=C2C(=C1C(=O)OC)N)SC)C3=CC=CC=C3

InChI

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