methyl 5-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 5-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: methyl 5-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-[2-amino-4-(trifluoromethyl)-5-pyrimidinyl]-3-phenyl-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-3-phenyl-isoxazole-4-carboxylic acid methyl ester Formula: C16H11F3N4O3 MolecularWeight: 364.27875

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(ON=C1C2=CC=CC=C2)C3=CN=C(N=C3C(F)(F)F)N

Isomeric SMILES

COC(=O)C1=C(ON=C1C2=CC=CC=C2)C3=CN=C(N=C3C(F)(F)F)N

InChI

InChI=1S/C16H11F3N4O3/c1-25-14(24)10-11(8-5-3-2-4-6-8)23-26-12(10)9-7-21-15(20)22-13(9)16(17,18)19/h2-7H,1H3,(H2,20,21,22)