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

Systemtic Name: 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(2,4-dimethyl-5-thiazolyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c1-9-14(23-10(2)18-9)13-7-8-17-16(20-13)19-12-5-3-11(4-6-12)15(21)22/h3-8H,1-2H3,(H,21,22)(H,17,19,20)