ethyl 5-azanyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H15F3N6O3 MolecularWeight: 408.33461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)N

InChI

InChI=1S/C17H15F3N6O3/c1-2-28-16(27)12-8-24-26(15(12)21)14-7-13(22-9-23-14)25-10-3-5-11(6-4-10)29-17(18,19)20/h3-9H,2,21H2,1H3,(H,22,23,25)