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

Systemtic Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethyl-carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethyl-carbonimidoyl]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethylimino)propyl]-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethylcarbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(C-ethyl-N-piperonyl-carbonimidoyl)-1-phenyl-barbituric acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCC1=CC2=C(C=C1)OCO2)C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCC(=NCC1=CC2=C(C=C1)OCO2)C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O5/c1-2-15(22-11-13-8-9-16-17(10-13)29-12-28-16)18-19(25)23-21(27)24(20(18)26)14-6-4-3-5-7-14/h3-10,18H,2,11-12H2,1H3,(H,23,25,27)