ethyl 4-[(4-fluorophenyl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-fluoroanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-fluoroanilino)-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluoroanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-fluoroanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16FN5O2 MolecularWeight: 341.339643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)F)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)F)N3C=C(C=N3)C

InChI

InChI=1S/C17H16FN5O2/c1-3-25-16(24)14-9-19-17(23-10-11(2)8-20-23)22-15(14)21-13-6-4-12(18)5-7-13/h4-10H,3H2,1-2H3,(H,19,21,22)