(5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-butyl-5-(piperonyliminomethyl)barbituric acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=O)C=NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=O)C=NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O5/c1-2-3-6-20-16(22)12(15(21)19-17(20)23)9-18-8-11-4-5-13-14(7-11)25-10-24-13/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,19,21,23)/t12-/m0/s1