ethyl 4-azanyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2,6-bis(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C9H7F6N3O2 MolecularWeight: 303.161199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1N)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1N)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9H7F6N3O2/c1-2-20-6(19)3-4(8(10,11)12)17-7(9(13,14)15)18-5(3)16/h2H2,1H3,(H2,16,17,18)