ethyl 4-[(3-chlorophenyl)amino]-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-chlorophenyl)amino]-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-chloroanilino)-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(3-chloroanilino)-6-(2-hydroxyethylamino)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloroanilino)-6-(2-hydroxyethylamino)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(3-chloroanilino)-6-(2-hydroxyethylamino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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