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

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-benzyl-5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-benzyl-5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-benzyl-5-(3-keto-4,5-dimethoxy-phthalan-1-yl)barbituric acid Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C21H18N2O7/c1-28-13-9-8-12-14(17(13)29-2)20(26)30-16(12)15-18(24)22-21(27)23(19(15)25)10-11-6-4-3-5-7-11/h3-9,15-16H,10H2,1-2H3,(H,22,24,27)