5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethyl-carbonimidoyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethyl-carbonimidoyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethyl-carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethylimino)propyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(C-ethyl-N-piperonyl-carbonimidoyl)barbituric acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCC1=CC2=C(C=C1)OCO2)C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CCC(=NCC1=CC2=C(C=C1)OCO2)C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C15H15N3O5/c1-2-9(12-13(19)17-15(21)18-14(12)20)16-6-8-3-4-10-11(5-8)23-7-22-10/h3-5,12H,2,6-7H2,1H3,(H2,17,18,19,20,21)