5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-2-fluoranyl-benzoic acid Openeye Name: 5-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]-2-fluoro-benzoic acid CAS Name: 5-[[4-(2,4-dimethyl-5-thiazolyl)-2-pyrimidinyl]amino]-2-fluorobenzoic acid IUPAC Name: 5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-2-fluorobenzoic acid Traditional Name: 5-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]-2-fluoro-benzoic acid Formula: C16H13FN4O2S MolecularWeight: 344.363423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC(=NC=C2)NC3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC(=NC=C2)NC3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H13FN4O2S/c1-8-14(24-9(2)19-8)13-5-6-18-16(21-13)20-10-3-4-12(17)11(7-10)15(22)23/h3-7H,1-2H3,(H,22,23)(H,18,20,21)