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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-ethanoylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-acetylanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-acetylanilino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-acetylanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)C)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)C)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H21N5O3/c1-5-28-19(27)17-11-21-20(25-13(3)10-12(2)24-25)23-18(17)22-16-8-6-15(7-9-16)14(4)26/h6-11H,5H2,1-4H3,(H,21,22,23)