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

Systemtic Name: ethyl (4S)-6-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(3-chlorobenzyl)-methyl-amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24ClN3O3 MolecularWeight: 365.85446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(C)CC2=CC(=CC=C2)Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN(C)CC2=CC(=CC=C2)Cl)C(=O)OCC

InChI

InChI=1S/C18H24ClN3O3/c1-4-14-16(17(23)25-5-2)15(21-18(24)20-14)11-22(3)10-12-7-6-8-13(19)9-12/h6-9,14H,4-5,10-11H2,1-3H3,(H2,20,21,24)/t14-/m0/s1