2-[3,4-bis(azanyl)quinazolin-3-ium-2-yl]selanyl-1-(4-chlorophenyl)ethanone bromide

Systemtic Name: 2-[3,4-bis(azanyl)quinazolin-3-ium-2-yl]selanyl-1-(4-chlorophenyl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-(3,4-diaminoquinazolin-3-ium-2-yl)selanyl-ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[(3,4-diamino-2-quinazolin-3-iumyl)seleno]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(3,4-diaminoquinazolin-3-ium-2-yl)selanylethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[(3,4-diaminoquinazolin-3-ium-2-yl)seleno]ethanone bromide Formula: C16H14BrClN4OSe MolecularWeight: 472.62556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[N+](C(=N2)[Se]CC(=O)C3=CC=C(C=C3)Cl)N)N.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=[N+](C(=N2)[Se]CC(=O)C3=CC=C(C=C3)Cl)N)N.[Br-]

InChI

InChI=1S/C16H13ClN4OSe.BrH/c17-11-7-5-10(6-8-11)14(22)9-23-16-20-13-4-2-1-3-12(13)15(18)21(16)19;/h1-8,18H,9,19H2;1H