3,6-bis(azanyl)-5-cyano-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(3,4-dimethoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(3,4-dimethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C17H16N5O3S+ MolecularWeight: 370.40564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)OC

InChI

InChI=1S/C17H15N5O3S/c1-24-11-4-3-9(6-12(11)25-2)21-16(23)14-13(19)10-5-8(7-18)15(20)22-17(10)26-14/h3-6H,19H2,1-2H3,(H2,20,22)(H,21,23)/p+1