ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-fluorophenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-fluorophenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluoroanilino)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-fluoroanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluoroanilino)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluoroanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18FN5O2 MolecularWeight: 355.366223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN5O2/c1-4-26-17(25)15-10-20-18(24-12(3)9-11(2)23-24)22-16(15)21-14-7-5-13(19)6-8-14/h5-10H,4H2,1-3H3,(H,20,21,22)