3,6-bis(azanyl)-5-cyano-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(4-methyl-3-piperidinosulfonyl-phenyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N6O3S2/c1-12-5-6-14(10-16(12)32(29,30)27-7-3-2-4-8-27)25-20(28)18-17(23)15-9-13(11-22)19(24)26-21(15)31-18/h5-6,9-10H,2-4,7-8,23H2,1H3,(H2,24,26)(H,25,28)