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

Systemtic Name: ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(cyclohexylamino)methyl]-4-(2,5-dimethylphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNC3CCCCC3

InChI

InChI=1S/C22H31N3O3/c1-4-28-21(26)19-18(13-23-16-8-6-5-7-9-16)24-22(27)25-20(19)17-12-14(2)10-11-15(17)3/h10-12,16,20,23H,4-9,13H2,1-3H3,(H2,24,25,27)