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

Systemtic Name: ethyl 4-[(4-bromophenyl)methyl-phenyl-amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[N-[(4-bromophenyl)methyl]anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-[N-[(4-bromophenyl)methyl]anilino]-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[N-[(4-bromophenyl)methyl]anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(N-(4-bromobenzyl)anilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H24BrN5O2 MolecularWeight: 506.39436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN5O2/c1-4-33-24(32)22-15-27-25(31-18(3)14-17(2)29-31)28-23(22)30(21-8-6-5-7-9-21)16-19-10-12-20(26)13-11-19/h5-15H,4,16H2,1-3H3