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

Systemtic Name: 3,6-bis(azanyl)-N-(1,3-benzodioxol-5-yl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-N-(1,3-benzodioxol-5-yl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-N-(1,3-benzodioxol-5-yl)-5-cyano-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-N-(1,3-benzodioxol-5-yl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-N-(1,3-benzodioxol-5-yl)-5-cyano-thieno[2,3-b]pyridine-2-carboxamide Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5O3S/c17-5-7-3-9-12(18)13(25-16(9)21-14(7)19)15(22)20-8-1-2-10-11(4-8)24-6-23-10/h1-4H,6,18H2,(H2,19,21)(H,20,22)