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

Systemtic Name: ethyl 4-[(4-acetamidophenyl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-acetamidoanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-acetamidoanilino)-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetamidoanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-acetamidoanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H20N6O3 MolecularWeight: 380.4005

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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=C(C=N3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3/c1-4-28-18(27)16-10-20-19(25-11-12(2)9-21-25)24-17(16)23-15-7-5-14(6-8-15)22-13(3)26/h5-11H,4H2,1-3H3,(H,22,26)(H,20,23,24)