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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-ethoxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethoxyanilino)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-ethoxyanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-ethoxyanilino)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(p-phenetidino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H23N5O3/c1-5-27-16-9-7-15(8-10-16)22-18-17(19(26)28-6-2)12-21-20(23-18)25-14(4)11-13(3)24-25/h7-12H,5-6H2,1-4H3,(H,21,22,23)