5-[1-(azepan-1-ylamino)ethylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1-azepanylamino)ethylidene]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(azepan-1-ylamino)ethylidene]-1-phenyl-barbituric acid Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NN3CCCCCC3

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NN3CCCCCC3

InChI

InChI=1S/C18H22N4O3/c1-13(20-21-11-7-2-3-8-12-21)15-16(23)19-18(25)22(17(15)24)14-9-5-4-6-10-14/h4-6,9-10,20H,2-3,7-8,11-12H2,1H3,(H,19,23,25)