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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[[2-(phenethylcarbamoyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(phenethylcarbamoyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-[2-[oxo-(phenethylamino)methyl]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(phenethylcarbamoyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(phenethylcarbamoyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C27H28N6O3/c1-4-36-26(35)22-17-29-27(33-19(3)16-18(2)32-33)31-24(22)30-23-13-9-8-12-21(23)25(34)28-15-14-20-10-6-5-7-11-20/h5-13,16-17H,4,14-15H2,1-3H3,(H,28,34)(H,29,30,31)