3,6-bis(azanyl)-N-tert-butyl-5-cyano-4-(4-ethylphenyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-N-tert-butyl-5-cyano-4-(4-ethylphenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-N-tert-butyl-5-cyano-4-(4-ethylphenyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-N-tert-butyl-5-cyano-4-(4-ethylphenyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-N-tert-butyl-5-cyano-4-(4-ethylphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-N-tert-butyl-5-cyano-4-(4-ethylphenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC(C)(C)C)N)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC(C)(C)C)N)N)C#N

InChI

InChI=1S/C21H23N5OS/c1-5-11-6-8-12(9-7-11)14-13(10-22)18(24)25-20-15(14)16(23)17(28-20)19(27)26-21(2,3)4/h6-9H,5,23H2,1-4H3,(H2,24,25)(H,26,27)