ethyl 4-[(4-butoxyphenyl)amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-butoxyphenyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-butoxyanilino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(4-butoxyanilino)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyanilino)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-butoxyanilino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-3-5-15-29-19-13-11-18(12-14-19)25-22-20(23(27)28-4-2)16-24-21(26-22)17-9-7-6-8-10-17/h6-14,16H,3-5,15H2,1-2H3,(H,24,25,26)