1-(2-ethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2-ethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-ethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-ethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-ethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-ethylphenyl)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylene]barbituric acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=O)NC2=O

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC4=C(C=C3OC)OCO4)C(=O)NC2=O

InChI

InChI=1S/C21H18N2O6/c1-3-12-6-4-5-7-15(12)23-20(25)14(19(24)22-21(23)26)8-13-9-17-18(29-11-28-17)10-16(13)27-2/h4-10H,3,11H2,1-2H3,(H,22,24,26)