ethyl 2-methylsulfanyl-4-[(3-phenyl-1,2-oxazol-5-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(3-phenyl-1,2-oxazol-5-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[(3-phenylisoxazol-5-yl)amino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[(3-phenyl-5-isoxazolyl)amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[(3-phenyl-1,2-oxazol-5-yl)amino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[(3-phenylisoxazol-5-yl)amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NO2)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NO2)C3=CC=CC=C3)SC

InChI

InChI=1S/C17H16N4O3S/c1-3-23-16(22)12-10-18-17(25-2)20-15(12)19-14-9-13(21-24-14)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,18,19,20)