(5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-hexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-hexyl-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-hexyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-hexyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-hexyl-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-hexyl-5-(piperonyliminomethyl)barbituric acid Formula: C19H23N3O5 MolecularWeight: 373.40302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=O)NC1=O)C=NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCN1C(=O)[C@@H](C(=O)NC1=O)C=NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H23N3O5/c1-2-3-4-5-8-22-18(24)14(17(23)21-19(22)25)11-20-10-13-6-7-15-16(9-13)27-12-26-15/h6-7,9,11,14H,2-5,8,10,12H2,1H3,(H,21,23,25)/t14-/m1/s1