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

Systemtic Name: ethyl 4-[(4-chlorophenyl)amino]-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chloroanilino)-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-chloroanilino)-6-(2-hydroxyethylamino)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloroanilino)-6-(2-hydroxyethylamino)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-chloroanilino)-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1NCCO)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1NCCO)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-2-29-21(28)17-19(23-12-13-27)25-18(14-6-4-3-5-7-14)26-20(17)24-16-10-8-15(22)9-11-16/h3-11,27H,2,12-13H2,1H3,(H2,23,24,25,26)