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

Systemtic Name: 2-chloranyl-5-[[4-(3-ethyl-4-methyl-2-oxidanylidene-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 2-chloro-5-[[4-(3-ethyl-4-methyl-2-oxo-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-chloro-5-[[4-(3-ethyl-4-methyl-2-oxo-5-thiazolyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[4-(3-ethyl-4-methyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-chloro-5-[[4-(3-ethyl-2-keto-4-methyl-4-thiazolin-5-yl)pyrimidin-2-yl]amino]benzoic acid Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(SC1=O)C2=NC(=NC=C2)NC3=CC(=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CCN1C(=C(SC1=O)C2=NC(=NC=C2)NC3=CC(=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C17H15ClN4O3S/c1-3-22-9(2)14(26-17(22)25)13-6-7-19-16(21-13)20-10-4-5-12(18)11(8-10)15(23)24/h4-8H,3H2,1-2H3,(H,23,24)(H,19,20,21)