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

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-azepanylamino)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-phenethyl-barbituric acid Formula: C19H24N4O3 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3/c24-17-16(14-20-22-11-6-1-2-7-12-22)18(25)23(19(26)21-17)13-10-15-8-4-3-5-9-15/h3-5,8-9,14,20H,1-2,6-7,10-13H2,(H,21,24,26)