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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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