5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1-hexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1-hexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-1-hexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-1-hexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-1-hexyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-hexyl-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)barbituric acid Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=O)NC1=O)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CCCCCCN1C(=O)C(C(=O)NC1=O)C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C20H24N2O7/c1-4-5-6-7-10-22-18(24)14(17(23)21-20(22)26)15-11-8-9-12(27-2)16(28-3)13(11)19(25)29-15/h8-9,14-15H,4-7,10H2,1-3H3,(H,21,23,26)