ethyl 4-azanyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H11F3N4O4S MolecularWeight: 388.32175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F3N4O4S/c1-2-25-12(22)8-6-19-13(20-11(8)18)26-10-4-3-7(14(15,16)17)5-9(10)21(23)24/h3-6H,2H2,1H3,(H2,18,19,20)