1-(1,3-benzodioxol-5-ylmethyl)-5-[(5-bromanyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(5-bromanyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(5-bromo-1H-indol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-bromo-1H-indol-3-yl)methylene]-1-piperonyl-barbituric acid Formula: C21H14BrN3O5 MolecularWeight: 468.25696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=CNC5=C4C=C(C=C5)Br)C(=O)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=CNC5=C4C=C(C=C5)Br)C(=O)NC3=O

InChI

InChI=1S/C21H14BrN3O5/c22-13-2-3-16-14(7-13)12(8-23-16)6-15-19(26)24-21(28)25(20(15)27)9-11-1-4-17-18(5-11)30-10-29-17/h1-8,23H,9-10H2,(H,24,26,28)