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

Systemtic Name: ethyl 3-chloranyl-2-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 3-chloro-2-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 3-chloro-2-[[4-(2,4-dimethyl-5-thiazolyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-2-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 3-chloro-2-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)Cl)NC2=NC=CC(=N2)C3=C(N=C(S3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)Cl)NC2=NC=CC(=N2)C3=C(N=C(S3)C)C

InChI

InChI=1S/C18H17ClN4O2S/c1-4-25-17(24)12-6-5-7-13(19)15(12)23-18-20-9-8-14(22-18)16-10(2)21-11(3)26-16/h5-9H,4H2,1-3H3,(H,20,22,23)