3,6-bis(azanyl)-4-(4-ethylphenyl)-2-piperidin-1-ylcarbonyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-4-(4-ethylphenyl)-2-piperidin-1-ylcarbonyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3,6-diamino-4-(4-ethylphenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3,6-diamino-4-(4-ethylphenyl)-2-[oxo(1-piperidinyl)methyl]-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3,6-diamino-4-(4-ethylphenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3,6-diamino-4-(4-ethylphenyl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridine-5-carbonitrile Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)N4CCCCC4)N)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)N4CCCCC4)N)N)C#N

InChI

InChI=1S/C22H23N5OS/c1-2-13-6-8-14(9-7-13)16-15(12-23)20(25)26-21-17(16)18(24)19(29-21)22(28)27-10-4-3-5-11-27/h6-9H,2-5,10-11,24H2,1H3,(H2,25,26)