5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-(4-bromophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-[(piperonylamino)methylene]barbituric acid Formula: C19H14BrN3O5 MolecularWeight: 444.23556

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H14BrN3O5/c20-12-2-4-13(5-3-12)23-18(25)14(17(24)22-19(23)26)9-21-8-11-1-6-15-16(7-11)28-10-27-15/h1-7,9,21H,8,10H2,(H,22,24,26)