N-(cyanomethyl)-4-fluoranyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

Systemtic Name: N-(cyanomethyl)-4-fluoranyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide Openeye Name: N-(cyanomethyl)-4-fluoro-3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]benzamide CAS Name: N-(cyanomethyl)-4-fluoro-3-[[2-(2-pyridinylamino)-5-thiazolyl]methylamino]benzamide IUPAC Name: N-(cyanomethyl)-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide Traditional Name: N-(cyanomethyl)-4-fluoro-3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]benzamide Formula: C18H15FN6OS MolecularWeight: 382.414703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=C(C=CC(=C3)C(=O)NCC#N)F

Isomeric SMILES

C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=C(C=CC(=C3)C(=O)NCC#N)F

InChI

InChI=1S/C18H15FN6OS/c19-14-5-4-12(17(26)22-8-6-20)9-15(14)23-10-13-11-24-18(27-13)25-16-3-1-2-7-21-16/h1-5,7,9,11,23H,8,10H2,(H,22,26)(H,21,24,25)