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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[phenyl-(phenylmethyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(N-benzylanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(N-(phenylmethyl)anilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(N-benzylanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(N-benzylanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N(CC2=CC=CC=C2)C3=CC=CC=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N(CC2=CC=CC=C2)C3=CC=CC=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C25H25N5O2/c1-4-32-24(31)22-16-26-25(30-19(3)15-18(2)28-30)27-23(22)29(21-13-9-6-10-14-21)17-20-11-7-5-8-12-20/h5-16H,4,17H2,1-3H3