(5S)-1-cyclohexyl-5-(C-ethyl-N-phenethyl-carbonimidoyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-1-cyclohexyl-5-(C-ethyl-N-phenethyl-carbonimidoyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-cyclohexyl-5-(C-ethyl-N-phenethyl-carbonimidoyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-cyclohexyl-5-(1-phenethyliminopropyl)-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-cyclohexyl-5-(C-ethyl-N-phenethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-cyclohexyl-5-(C-ethyl-N-phenethyl-carbonimidoyl)barbituric acid Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCC1=CC=CC=C1)C2C(=O)NC(=O)N(C2=O)C3CCCCC3

Isomeric SMILES

CCC(=NCCC1=CC=CC=C1)[C@H]2C(=O)NC(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C21H27N3O3/c1-2-17(22-14-13-15-9-5-3-6-10-15)18-19(25)23-21(27)24(20(18)26)16-11-7-4-8-12-16/h3,5-6,9-10,16,18H,2,4,7-8,11-14H2,1H3,(H,23,25,27)/t18-/m0/s1