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

Systemtic Name: 8-(4-bromophenyl)-6-methylsulfanyl-3-oxidanidyl-3-phenyl-2,9-dihydropurin-3-ium Openeye Name: 8-(4-bromophenyl)-6-methylsulfanyl-3-oxido-3-phenyl-2,9-dihydropurin-3-ium CAS Name: 8-(4-bromophenyl)-6-(methylthio)-3-oxido-3-phenyl-2,9-dihydropurin-3-ium IUPAC Name: 8-(4-bromophenyl)-6-methylsulfanyl-3-oxido-3-phenyl-2,9-dihydropurin-3-ium Traditional Name: 8-(4-bromophenyl)-6-(methylthio)-3-oxido-3-phenyl-2,9-dihydropurin-3-ium Formula: C18H15BrN4OS MolecularWeight: 415.3069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4OS/c1-25-18-15-17(22-16(21-15)12-7-9-13(19)10-8-12)23(24,11-20-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,22)