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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1-hexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-1-hexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1-hexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1-hexyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-hexyl-5-piperonylidene-barbituric acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=O)NC1=O

InChI

InChI=1S/C18H20N2O5/c1-2-3-4-5-8-20-17(22)13(16(21)19-18(20)23)9-12-6-7-14-15(10-12)25-11-24-14/h6-7,9-10H,2-5,8,11H2,1H3,(H,19,21,23)