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

Systemtic Name: ethyl 4-[(4-acetamidophenyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-acetamidoanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-acetamidoanilino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetamidoanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-acetamidoanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3/c1-5-29-19(28)17-11-21-20(26-13(3)10-12(2)25-26)24-18(17)23-16-8-6-15(7-9-16)22-14(4)27/h6-11H,5H2,1-4H3,(H,22,27)(H,21,23,24)