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

Systemtic Name: ethyl 4-[(2,5-diphenylpyrazol-3-yl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2,5-diphenylpyrazol-3-yl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(2,5-diphenyl-3-pyrazolyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-diphenylpyrazol-3-yl)amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(2,5-diphenylpyrazol-3-yl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C23H21N5O2S/c1-3-30-22(29)18-15-24-23(31-2)26-21(18)25-20-14-19(16-10-6-4-7-11-16)27-28(20)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,24,25,26)