ethyl 4-[(2-fluorophenyl)amino]-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-fluorophenyl)amino]-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-fluoroanilino)-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(2-fluoroanilino)-6-(2-hydroxyethylamino)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-fluoroanilino)-6-(2-hydroxyethylamino)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(2-fluoroanilino)-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1NCCO)C2=CC=CC=C2)NC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1NCCO)C2=CC=CC=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O3/c1-2-29-21(28)17-19(23-12-13-27)25-18(14-8-4-3-5-9-14)26-20(17)24-16-11-7-6-10-15(16)22/h3-11,27H,2,12-13H2,1H3,(H2,23,24,25,26)