5-[1-(phenethylamino)propylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(phenethylamino)propylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(phenethylamino)propylidene]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(phenethylamino)propylidene]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(phenethylamino)propylidene]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(phenethylamino)propylidene]-1-phenyl-barbituric acid Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCCC3=CC=CC=C3

Isomeric SMILES

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/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/h3-12,22H,2,13-14H2,1H3,(H,23,25,27)