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

Systemtic Name: ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(2,5-dimethyl-3-pyrazolyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-dimethylpyrazol-3-yl)amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(2,5-dimethylpyrazol-3-yl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NN2C)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NN2C)C)SC

InChI

InChI=1S/C13H17N5O2S/c1-5-20-12(19)9-7-14-13(21-4)16-11(9)15-10-6-8(2)17-18(10)3/h6-7H,5H2,1-4H3,(H,14,15,16)