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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-phenylmethoxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-benzyloxyanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-phenylmethoxyanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-phenylmethoxyanilino)pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoxyanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OCC3=CC=CC=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OCC3=CC=CC=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C25H25N5O3/c1-4-32-24(31)22-15-26-25(30-18(3)14-17(2)29-30)28-23(22)27-20-10-12-21(13-11-20)33-16-19-8-6-5-7-9-19/h5-15H,4,16H2,1-3H3,(H,26,27,28)