8-(4-bromophenyl)-3-methyl-6-methylsulfanyl-3-oxidanidyl-2,9-dihydropurin-3-ium

Systemtic Name: 8-(4-bromophenyl)-3-methyl-6-methylsulfanyl-3-oxidanidyl-2,9-dihydropurin-3-ium Openeye Name: 8-(4-bromophenyl)-3-methyl-6-methylsulfanyl-3-oxido-2,9-dihydropurin-3-ium CAS Name: 8-(4-bromophenyl)-3-methyl-6-(methylthio)-3-oxido-2,9-dihydropurin-3-ium IUPAC Name: 8-(4-bromophenyl)-3-methyl-6-methylsulfanyl-3-oxido-2,9-dihydropurin-3-ium Traditional Name: 8-(4-bromophenyl)-3-methyl-6-(methylthio)-3-oxido-2,9-dihydropurin-3-ium Formula: C13H13BrN4OS MolecularWeight: 353.23752

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CN=C(C2=C1NC(=N2)C3=CC=C(C=C3)Br)SC)[O-]

Isomeric SMILES

C[N+]1(CN=C(C2=C1NC(=N2)C3=CC=C(C=C3)Br)SC)[O-]

InChI

InChI=1S/C13H13BrN4OS/c1-18(19)7-15-13(20-2)10-12(18)17-11(16-10)8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,16,17)