N-(1-adamantyl)-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: N-(1-adamantyl)-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: N-(1-adamantyl)-3,6-diamino-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: N-(1-adamantyl)-3,6-diamino-5-cyano-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: N-(1-adamantyl)-3,6-diamino-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: N-(1-adamantyl)-3,6-diamino-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C19H22N5OS+ MolecularWeight: 368.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C5=C(S4)[NH+]=C(C(=C5)C#N)N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C5=C(S4)[NH+]=C(C(=C5)C#N)N)N

InChI

InChI=1S/C19H21N5OS/c20-8-12-4-13-14(21)15(26-18(13)23-16(12)22)17(25)24-19-5-9-1-10(6-19)3-11(2-9)7-19/h4,9-11H,1-3,5-7,21H2,(H2,22,23)(H,24,25)/p+1