ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-ethoxycarbonylphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-ethoxycarbonylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethoxycarbonylanilino)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-ethoxycarbonylanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethoxycarbonylanilino)pyrimidine-5-carboxylate Traditional Name: 4-(4-carbethoxyanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-5-29-19(27)15-7-9-16(10-8-15)23-18-17(20(28)30-6-2)12-22-21(24-18)26-14(4)11-13(3)25-26/h7-12H,5-6H2,1-4H3,(H,22,23,24)