methyl 3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: methyl 3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: methyl 3,6-diamino-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3,6-diamino-5-cyano-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid methyl ester IUPAC Name: methyl 3,6-diamino-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3,6-diamino-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid methyl ester Formula: C10H9N4O2S+ MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)[NH+]=C(C(=C2)C#N)N)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)[NH+]=C(C(=C2)C#N)N)N

InChI

InChI=1S/C10H8N4O2S/c1-16-10(15)7-6(12)5-2-4(3-11)8(13)14-9(5)17-7/h2H,12H2,1H3,(H2,13,14)/p+1