2-[8-bromanyl-4-(4-fluoranyl-2-methyl-phenyl)phthalazin-1-yl]guanidine dihydrochloride

Systemtic Name: 2-[8-bromanyl-4-(4-fluoranyl-2-methyl-phenyl)phthalazin-1-yl]guanidine dihydrochloride Openeye Name: 2-[8-bromo-4-(4-fluoro-2-methyl-phenyl)phthalazin-1-yl]guanidine dihydrochloride CAS Name: 2-[8-bromo-4-(4-fluoro-2-methylphenyl)-1-phthalazinyl]guanidine dihydrochloride IUPAC Name: 2-[8-bromo-4-(4-fluoro-2-methylphenyl)phthalazin-1-yl]guanidine dihydrochloride Traditional Name: 2-[8-bromo-4-(4-fluoro-2-methyl-phenyl)phthalazin-1-yl]guanidine dihydrochloride Formula: C16H15BrCl2FN5 MolecularWeight: 447.132203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=NN=C(C3=C2C=CC=C3Br)N=C(N)N.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=NN=C(C3=C2C=CC=C3Br)N=C(N)N.Cl.Cl

InChI

InChI=1S/C16H13BrFN5.2ClH/c1-8-7-9(18)5-6-10(8)14-11-3-2-4-12(17)13(11)15(23-22-14)21-16(19)20;;/h2-7H,1H3,(H4,19,20,21,23);2*1H