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

Systemtic Name: 8-(4-bromophenyl)-3-[(3-iodanylphenyl)methyl]-6-methylsulfanyl-3-oxidanidyl-2,9-dihydropurin-3-ium Openeye Name: 8-(4-bromophenyl)-3-[(3-iodophenyl)methyl]-6-methylsulfanyl-3-oxido-2,9-dihydropurin-3-ium CAS Name: 8-(4-bromophenyl)-3-[(3-iodophenyl)methyl]-6-(methylthio)-3-oxido-2,9-dihydropurin-3-ium IUPAC Name: 8-(4-bromophenyl)-3-[(3-iodophenyl)methyl]-6-methylsulfanyl-3-oxido-2,9-dihydropurin-3-ium Traditional Name: 8-(4-bromophenyl)-3-(3-iodobenzyl)-6-(methylthio)-3-oxido-2,9-dihydropurin-3-ium Formula: C19H16BrIN4OS MolecularWeight: 555.23001

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC[N+](C2=C1N=C(N2)C3=CC=C(C=C3)Br)(CC4=CC(=CC=C4)I)[O-]

Isomeric SMILES

CSC1=NC[N+](C2=C1N=C(N2)C3=CC=C(C=C3)Br)(CC4=CC(=CC=C4)I)[O-]

InChI

InChI=1S/C19H16BrIN4OS/c1-27-19-16-18(24-17(23-16)13-5-7-14(20)8-6-13)25(26,11-22-19)10-12-3-2-4-15(21)9-12/h2-9H,10-11H2,1H3,(H,23,24)