ethyl 1-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[oxo-(2-pyrimidinylhydrazo)methyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(pyrimidin-2-ylamino)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-[(2-pyrimidylamino)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H15F3N6O3 MolecularWeight: 420.34531

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NNC3=NC=CC=N3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NNC3=NC=CC=N3)C(F)(F)F

InChI

InChI=1S/C18H15F3N6O3/c1-2-30-16(29)13-10-24-27(14(13)18(19,20)21)12-6-4-11(5-7-12)15(28)25-26-17-22-8-3-9-23-17/h3-10H,2H2,1H3,(H,25,28)(H,22,23,26)