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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(phenylmethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-N-benzyl-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(phenylmethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-N-benzyl-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-N-benzyl-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C16H14N5OS+ MolecularWeight: 324.38026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5OS/c17-7-10-6-11-12(18)13(23-16(11)21-14(10)19)15(22)20-8-9-4-2-1-3-5-9/h1-6H,8,18H2,(H2,19,21)(H,20,22)/p+1