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

Systemtic Name: 2-[6,8-bis(bromanyl)-7-butoxy-4-phenyl-phthalazin-1-yl]guanidine dihydrochloride Openeye Name: 2-(6,8-dibromo-7-butoxy-4-phenyl-phthalazin-1-yl)guanidine dihydrochloride CAS Name: 2-(6,8-dibromo-7-butoxy-4-phenyl-1-phthalazinyl)guanidine dihydrochloride IUPAC Name: 2-(6,8-dibromo-7-butoxy-4-phenylphthalazin-1-yl)guanidine dihydrochloride Traditional Name: 2-(6,8-dibromo-7-butoxy-4-phenyl-phthalazin-1-yl)guanidine dihydrochloride Formula: C19H21Br2Cl2N5O MolecularWeight: 566.11694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1Br)C(=NN=C2C3=CC=CC=C3)N=C(N)N)Br.Cl.Cl

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1Br)C(=NN=C2C3=CC=CC=C3)N=C(N)N)Br.Cl.Cl

InChI

InChI=1S/C19H19Br2N5O.2ClH/c1-2-3-9-27-17-13(20)10-12-14(15(17)21)18(24-19(22)23)26-25-16(12)11-7-5-4-6-8-11;;/h4-8,10H,2-3,9H2,1H3,(H4,22,23,24,26);2*1H