ethyl 2-(butylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(butylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(butylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(butylamino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(butylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C12H16F3N3O2 MolecularWeight: 291.26955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=C(C(=N1)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCCNC1=NC=C(C(=N1)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C12H16F3N3O2/c1-3-5-6-16-11-17-7-8(10(19)20-4-2)9(18-11)12(13,14)15/h7H,3-6H2,1-2H3,(H,16,17,18)