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

Systemtic Name: 3,6-bis(azanyl)-N-(4-butoxyphenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-N-(4-butoxyphenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-N-(4-butoxyphenyl)-5-cyano-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-N-(4-butoxyphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-N-(4-butoxyphenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C19H20N5O2S+ MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N

InChI

InChI=1S/C19H19N5O2S/c1-2-3-8-26-13-6-4-12(5-7-13)23-18(25)16-15(21)14-9-11(10-20)17(22)24-19(14)27-16/h4-7,9H,2-3,8,21H2,1H3,(H2,22,24)(H,23,25)/p+1