5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cycloheptyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cycloheptyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cycloheptyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cycloheptyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cycloheptyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-cycloheptyl-5-(piperonyliminomethyl)barbituric acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)C(C(=O)NC2=O)C=NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCC(CC1)N2C(=O)C(C(=O)NC2=O)C=NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O5/c24-18-15(11-21-10-13-7-8-16-17(9-13)28-12-27-16)19(25)23(20(26)22-18)14-5-3-1-2-4-6-14/h7-9,11,14-15H,1-6,10,12H2,(H,22,24,26)