3,6-bis(azanyl)-N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-N-(1,3-benzodioxol-5-ylmethyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-piperonyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C4=C(S3)N=C(C(=C4)C#N)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C4=C(S3)N=C(C(=C4)C#N)N)N

InChI

InChI=1S/C17H13N5O3S/c18-5-9-4-10-13(19)14(26-17(10)22-15(9)20)16(23)21-6-8-1-2-11-12(3-8)25-7-24-11/h1-4H,6-7,19H2,(H2,20,22)(H,21,23)