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

Systemtic Name: methyl 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 4-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(2,4-dimethyl-5-thiazolyl)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S/c1-10-15(24-11(2)19-10)14-8-9-18-17(21-14)20-13-6-4-12(5-7-13)16(22)23-3/h4-9H,1-3H3,(H,18,20,21)