5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-hexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-hexyl-5-[(piperonylamino)methylene]barbituric acid Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=O

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/h6-7,9,11,20H,2-5,8,10,12H2,1H3,(H,21,23,25)