ethyl 1-[2-azanyl-5-methanoyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-azanyl-5-methanoyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-amino-5-formyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[2-amino-5-formyl-6-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-amino-5-formyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-amino-5-formyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H21F3N6O4 MolecularWeight: 442.39235

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC(=N2)N)OC3=CC(=NN3C)C(F)(F)F)C=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC(=N2)N)OC3=CC(=NN3C)C(F)(F)F)C=O

InChI

InChI=1S/C18H21F3N6O4/c1-3-30-16(29)10-4-6-27(7-5-10)14-11(9-28)15(24-17(22)23-14)31-13-8-12(18(19,20)21)25-26(13)2/h8-10H,3-7H2,1-2H3,(H2,22,23,24)