N-(3-bromophenyl)-6-(pyridin-2-ylmethylideneamino)quinazolin-4-amine; carbon monoxide; technetium-99; chloride

Systemtic Name: N-(3-bromophenyl)-6-(pyridin-2-ylmethylideneamino)quinazolin-4-amine; carbon monoxide; technetium-99; chloride Openeye Name: N-(3-bromophenyl)-6-(2-pyridylmethyleneamino)quinazolin-4-amine; carbon monoxide; technetium-99; chloride CAS Name: N-(3-bromophenyl)-6-(2-pyridinylmethylideneamino)-4-quinazolinamine; carbon monoxide; technetium-99; chloride IUPAC Name: N-(3-bromophenyl)-6-(pyridin-2-ylmethylideneamino)quinazolin-4-amine; carbon monoxide; technetium-99; chloride Traditional Name: (3-bromophenyl)-[6-(2-pyridylmethyleneamino)quinazolin-4-yl]amine; carbon monoxide; technetium-99; chloride Formula: C63H42Br3ClN15O3Tc- MolecularWeight: 1431.177535

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=NC(=C1)C=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br.C1=CC=NC(=C1)C=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br.C1=CC=NC(=C1)C=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br.[Cl-].[Tc]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=NC(=C1)C=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br.C1=CC=NC(=C1)C=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br.C1=CC=NC(=C1)C=NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br.[Cl-].[99Tc]

InChI

InChI=1S/3C20H14BrN5.3CO.ClH.Tc/c3*21-14-4-3-6-16(10-14)26-20-18-11-15(7-8-19(18)24-13-25-20)23-12-17-5-1-2-9-22-17;3*1-2;;/h3*1-13H,(H,24,25,26);;;;1H;/p-1/i;;;;;;;1+1