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

Systemtic Name: 3-chloranyl-2-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-chloro-2-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-chloro-2-[[4-(2,4-dimethyl-5-thiazolyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-chloro-2-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-chloro-2-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Formula: C16H13ClN4O2S MolecularWeight: 360.81802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC(=NC=C2)NC3=C(C=CC=C3Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC(=NC=C2)NC3=C(C=CC=C3Cl)C(=O)O

InChI

InChI=1S/C16H13ClN4O2S/c1-8-14(24-9(2)19-8)12-6-7-18-16(20-12)21-13-10(15(22)23)4-3-5-11(13)17/h3-7H,1-2H3,(H,22,23)(H,18,20,21)