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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-oxidanylidene-6-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(benzylamino)methyl]-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methylphenyl)-2-oxo-6-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(benzylamino)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(benzylamino)methyl]-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)CNCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)CNCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-3-28-21(26)19-18(14-23-13-16-7-5-4-6-8-16)24-22(27)25-20(19)17-11-9-15(2)10-12-17/h4-12,20,23H,3,13-14H2,1-2H3,(H2,24,25,27)