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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N)OC

InChI

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