1-(4-bromophenyl)-6-methylsulfanyl-3-oxidanidyl-3-propyl-2H-purin-3-ium

Systemtic Name: 1-(4-bromophenyl)-6-methylsulfanyl-3-oxidanidyl-3-propyl-2H-purin-3-ium Openeye Name: 1-(4-bromophenyl)-6-methylsulfanyl-3-oxido-3-propyl-2H-purin-3-ium CAS Name: 1-(4-bromophenyl)-6-(methylthio)-3-oxido-3-propyl-2H-purin-3-ium IUPAC Name: 1-(4-bromophenyl)-6-methylsulfanyl-3-oxido-3-propyl-2H-purin-3-ium Traditional Name: 1-(4-bromophenyl)-6-(methylthio)-3-oxido-3-propyl-2H-purin-3-ium Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CN(C(=C2C1=NC=N2)SC)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

CCC[N+]1(CN(C(=C2C1=NC=N2)SC)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C15H17BrN4OS/c1-3-8-20(21)10-19(12-6-4-11(16)5-7-12)15(22-2)13-14(20)18-9-17-13/h4-7,9H,3,8,10H2,1-2H3