ethyl 4-(4-butan-2-ylphenoxy)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-butan-2-ylphenoxy)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-sec-butylphenoxy)pyrimidine-5-carboxylate CAS Name: 4-(4-butan-2-ylphenoxy)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butan-2-ylphenoxy)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-sec-butylphenoxy)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OC2=NC(=NC=C2C(=O)OCC)N3C(=CC(=N3)C)C

InChI

InChI=1S/C22H26N4O3/c1-6-14(3)17-8-10-18(11-9-17)29-20-19(21(27)28-7-2)13-23-22(24-20)26-16(5)12-15(4)25-26/h8-14H,6-7H2,1-5H3