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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN(C)C3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN(C)C3CCC(CC3)C

InChI

InChI=1S/C22H31N3O3/c1-4-28-21(26)19-18(14-25(3)17-12-10-15(2)11-13-17)23-22(27)24-20(19)16-8-6-5-7-9-16/h5-9,15,17,20H,4,10-14H2,1-3H3,(H2,23,24,27)/t15?,17?,20-/m0/s1