ethyl 3,6-bis(azanyl)-4-(4-butoxyphenyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3,6-bis(azanyl)-4-(4-butoxyphenyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3,6-diamino-4-(4-butoxyphenyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3,6-diamino-4-(4-butoxyphenyl)-5-cyano-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3,6-diamino-4-(4-butoxyphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3,6-diamino-4-(4-butoxyphenyl)-5-cyano-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)OCC)N)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)OCC)N)N)C#N

InChI

InChI=1S/C21H22N4O3S/c1-3-5-10-28-13-8-6-12(7-9-13)15-14(11-22)19(24)25-20-16(15)17(23)18(29-20)21(26)27-4-2/h6-9H,3-5,10,23H2,1-2H3,(H2,24,25)