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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[[2-(propylcarbamoyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(propylcarbamoyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-[2-[oxo(propylamino)methyl]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(propylcarbamoyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(propylcarbamoyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-5-11-23-20(29)16-9-7-8-10-18(16)25-19-17(21(30)31-6-2)13-24-22(26-19)28-15(4)12-14(3)27-28/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,29)(H,24,25,26)