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

Systemtic Name: ethyl 4-[[2-(butylcarbamoyl)phenyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(butylcarbamoyl)anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-[2-[butylamino(oxo)methyl]anilino]-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(butylcarbamoyl)anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-[2-(butylcarbamoyl)anilino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

InChI

InChI=1S/C23H28N6O3/c1-5-7-12-24-21(30)17-10-8-9-11-19(17)26-20-18(22(31)32-6-2)14-25-23(27-20)29-16(4)13-15(3)28-29/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,30)(H,25,26,27)