ethyl 4-[(4-ethoxycarbonylphenyl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-ethoxycarbonylphenyl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-ethoxycarbonylanilino)-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxycarbonylanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-carbethoxyanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C=C(C=N3)C

InChI

InChI=1S/C20H21N5O4/c1-4-28-18(26)14-6-8-15(9-7-14)23-17-16(19(27)29-5-2)11-21-20(24-17)25-12-13(3)10-22-25/h6-12H,4-5H2,1-3H3,(H,21,23,24)