ethyl 4-(2,5-dimethylphenyl)-6-[[(4-iodophenyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-6-[[(4-iodophenyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-6-[(4-iodoanilino)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24IN3O3 MolecularWeight: 505.34873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNC3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNC3=CC=C(C=C3)I

InChI

InChI=1S/C22H24IN3O3/c1-4-29-21(27)19-18(12-24-16-9-7-15(23)8-10-16)25-22(28)26-20(19)17-11-13(2)5-6-14(17)3/h5-11,20,24H,4,12H2,1-3H3,(H2,25,26,28)