8-[(4-bromophenyl)methylsulfanyl]-7H-purin-3-ium-6-amine

Systemtic Name: 8-[(4-bromophenyl)methylsulfanyl]-7H-purin-3-ium-6-amine Openeye Name: 8-[(4-bromophenyl)methylsulfanyl]-7H-purin-3-ium-6-amine CAS Name: 8-[(4-bromophenyl)methylthio]-7H-purin-3-ium-6-amine IUPAC Name: 8-[(4-bromophenyl)methylsulfanyl]-7H-purin-3-ium-6-amine Traditional Name: [8-[(4-bromobenzyl)thio]-7H-purin-3-ium-6-yl]amine Formula: C12H11BrN5S+ MolecularWeight: 337.21824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=[NH+]C=NC(=C3N2)N)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=[NH+]C=NC(=C3N2)N)Br

InChI

InChI=1S/C12H10BrN5S/c13-8-3-1-7(2-4-8)5-19-12-17-9-10(14)15-6-16-11(9)18-12/h1-4,6H,5H2,(H3,14,15,16,17,18)/p+1