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

Systemtic Name: 2-[3,4-bis(azanyl)quinazolin-3-ium-2-yl]selanyl-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(3,4-diaminoquinazolin-3-ium-2-yl)selanyl-1-(p-tolyl)ethanone bromide CAS Name: 2-[(3,4-diamino-2-quinazolin-3-iumyl)seleno]-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(3,4-diaminoquinazolin-3-ium-2-yl)selanyl-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-[(3,4-diaminoquinazolin-3-ium-2-yl)seleno]-1-(p-tolyl)ethanone bromide Formula: C17H17BrN4OSe MolecularWeight: 452.20708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[Se]C2=NC3=CC=CC=C3C(=[N+]2N)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[Se]C2=NC3=CC=CC=C3C(=[N+]2N)N.[Br-]

InChI

InChI=1S/C17H16N4OSe.BrH/c1-11-6-8-12(9-7-11)15(22)10-23-17-20-14-5-3-2-4-13(14)16(18)21(17)19;/h2-9,18H,10,19H2,1H3;1H