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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-4-propan-2-yl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-4-isopropyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-4-propan-2-yl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-4-isopropyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C12H14N5OS+ MolecularWeight: 276.33746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)N)N)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)N)N)N)C#N

InChI

InChI=1S/C12H13N5OS/c1-4(2)6-5(3-13)10(15)17-12-7(6)8(14)9(19-12)11(16)18/h4H,14H2,1-2H3,(H2,15,17)(H2,16,18)/p+1