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

Systemtic Name: propan-2-yl 3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C12H13N4O2S+ MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c1-5(2)18-12(17)9-8(14)7-3-6(4-13)10(15)16-11(7)19-9/h3,5H,14H2,1-2H3,(H2,15,16)/p+1