3,6-bis(azanyl)-2-(3,5-dimethylpiperidin-1-yl)carbonyl-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(3,5-dimethylpiperidin-1-yl)carbonyl-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3,6-diamino-2-(3,5-dimethylpiperidine-1-carbonyl)-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3,6-diamino-2-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-4-phenyl-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3,6-diamino-2-(3,5-dimethylpiperidine-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3,6-diamino-2-(3,5-dimethylpiperidine-1-carbonyl)-4-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Formula: C22H23N5OS MolecularWeight: 405.51592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4)C#N)N)N)C

InChI

InChI=1S/C22H23N5OS/c1-12-8-13(2)11-27(10-12)22(28)19-18(24)17-16(14-6-4-3-5-7-14)15(9-23)20(25)26-21(17)29-19/h3-7,12-13H,8,10-11,24H2,1-2H3,(H2,25,26)