3-(4-bromophenyl)-1-methyl-4-oxidanidyl-6-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systemtic Name: 3-(4-bromophenyl)-1-methyl-4-oxidanidyl-6-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 3-(4-bromophenyl)-1-methyl-4-oxido-6-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 3-(4-bromophenyl)-1-methyl-4-oxido-6-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 3-(4-bromophenyl)-1-methyl-4-oxido-6-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 3-(4-bromophenyl)-1-methyl-4-oxido-6-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C18H12BrN5O3 MolecularWeight: 426.22358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=C(C=C3)Br)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=C(C=C3)Br)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H12BrN5O3/c1-22-16-14(24(27)15(21-22)11-7-9-12(19)10-8-11)17(25)23(18(26)20-16)13-5-3-2-4-6-13/h2-10H,1H3