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

Systemtic Name: (phenylmethyl) 3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C16H13N4O2S+ MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

InChI

InChI=1S/C16H12N4O2S/c17-7-10-6-11-12(18)13(23-15(11)20-14(10)19)16(21)22-8-9-4-2-1-3-5-9/h1-6H,8,18H2,(H2,19,20)/p+1