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

Systemtic Name: 4-fluoranyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]-N-pyrrolidin-3-yl-benzamide Openeye Name: 4-fluoro-3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]-N-pyrrolidin-3-yl-benzamide CAS Name: 4-fluoro-3-[[2-(2-pyridinylamino)-5-thiazolyl]methylamino]-N-(3-pyrrolidinyl)benzamide IUPAC Name: 4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]-N-pyrrolidin-3-ylbenzamide Traditional Name: 4-fluoro-3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]-N-pyrrolidin-3-yl-benzamide Formula: C20H21FN6OS MolecularWeight: 412.483743

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1NC(=O)C2=CC(=C(C=C2)F)NCC3=CN=C(S3)NC4=CC=CC=N4

Isomeric SMILES

C1CNCC1NC(=O)C2=CC(=C(C=C2)F)NCC3=CN=C(S3)NC4=CC=CC=N4

InChI

InChI=1S/C20H21FN6OS/c21-16-5-4-13(19(28)26-14-6-8-22-10-14)9-17(16)24-11-15-12-25-20(29-15)27-18-3-1-2-7-23-18/h1-5,7,9,12,14,22,24H,6,8,10-11H2,(H,26,28)(H,23,25,27)