ethyl 5-azanyl-1-[6-[3-(trifluoromethyloxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[6-[3-(trifluoromethyloxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[6-[3-(trifluoromethoxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-[3-(trifluoromethoxy)phenoxy]-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[6-[3-(trifluoromethoxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-[3-(trifluoromethoxy)phenoxy]pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H14F3N5O4 MolecularWeight: 409.31937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC(=CC=C3)OC(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=CC(=CC=C3)OC(F)(F)F)N

InChI

InChI=1S/C17H14F3N5O4/c1-2-27-16(26)12-8-24-25(15(12)21)13-7-14(23-9-22-13)28-10-4-3-5-11(6-10)29-17(18,19)20/h3-9H,2,21H2,1H3