2-(6-bromanyl-7-methoxy-4-phenyl-phthalazin-1-yl)guanidine bromate

Systemtic Name: 2-(6-bromanyl-7-methoxy-4-phenyl-phthalazin-1-yl)guanidine bromate Openeye Name: 2-(6-bromo-7-methoxy-4-phenyl-phthalazin-1-yl)guanidine bromate CAS Name: 2-(6-bromo-7-methoxy-4-phenyl-1-phthalazinyl)guanidine bromate IUPAC Name: 2-(6-bromo-7-methoxy-4-phenylphthalazin-1-yl)guanidine bromate Traditional Name: 2-(6-bromo-7-methoxy-4-phenyl-phthalazin-1-yl)guanidine bromate Formula: C16H14Br2N5O4- MolecularWeight: 500.12146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN=C2C3=CC=CC=C3)N=C(N)N)Br.[O-]Br(=O)=O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN=C2C3=CC=CC=C3)N=C(N)N)Br.[O-]Br(=O)=O

InChI

InChI=1S/C16H14BrN5O.BrHO3/c1-23-13-8-11-10(7-12(13)17)14(9-5-3-2-4-6-9)21-22-15(11)20-16(18)19;2-1(3)4/h2-8H,1H3,(H4,18,19,20,22);(H,2,3,4)/p-1