2-[6,8-bis(bromanyl)-7-methoxy-4-phenyl-phthalazin-1-yl]guanidine dihydrochloride

Systemtic Name: 2-[6,8-bis(bromanyl)-7-methoxy-4-phenyl-phthalazin-1-yl]guanidine dihydrochloride Openeye Name: 2-(6,8-dibromo-7-methoxy-4-phenyl-phthalazin-1-yl)guanidine dihydrochloride CAS Name: 2-(6,8-dibromo-7-methoxy-4-phenyl-1-phthalazinyl)guanidine dihydrochloride IUPAC Name: 2-(6,8-dibromo-7-methoxy-4-phenylphthalazin-1-yl)guanidine dihydrochloride Traditional Name: 2-(6,8-dibromo-7-methoxy-4-phenyl-phthalazin-1-yl)guanidine dihydrochloride Formula: C16H15Br2Cl2N5O MolecularWeight: 524.0372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1Br)C(=NN=C2C3=CC=CC=C3)N=C(N)N)Br.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1Br)C(=NN=C2C3=CC=CC=C3)N=C(N)N)Br.Cl.Cl

InChI

InChI=1S/C16H13Br2N5O.2ClH/c1-24-14-10(17)7-9-11(12(14)18)15(21-16(19)20)23-22-13(9)8-5-3-2-4-6-8;;/h2-7H,1H3,(H4,19,20,21,23);2*1H