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

Systemtic Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methyl-carbonimidoyl]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methyl-carbonimidoyl]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(1,3-benzodioxol-5-ylmethylimino)ethyl]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(C-methyl-N-piperonyl-carbonimidoyl)barbituric acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCC1=CC2=C(C=C1)OCO2)C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC(=NCC1=CC2=C(C=C1)OCO2)C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C20H23N3O5/c1-12(21-10-13-7-8-15-16(9-13)28-11-27-15)17-18(24)22-20(26)23(19(17)25)14-5-3-2-4-6-14/h7-9,14,17H,2-6,10-11H2,1H3,(H,22,24,26)