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

Systemtic Name: ethyl 2-chloranyl-5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 2-chloro-5-[[4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 2-chloro-5-[[4-(2,4-dimethyl-5-thiazolyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 2-chloro-5-[[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)NC2=NC=CC(=N2)C3=C(N=C(S3)C)C)Cl

Isomeric SMILES

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

InChI

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