9-methyl-7-oxidanidyl-6-phenylsulfanyl-purin-7-ium

Systemtic Name: 9-methyl-7-oxidanidyl-6-phenylsulfanyl-purin-7-ium Openeye Name: 9-methyl-7-oxido-6-phenylsulfanyl-purin-7-ium CAS Name: 9-methyl-7-oxido-6-(phenylthio)purin-7-ium IUPAC Name: 9-methyl-7-oxido-6-phenylsulfanylpurin-7-ium Traditional Name: 9-methyl-7-oxido-6-(phenylthio)purin-7-ium Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1N=CN=C2SC3=CC=CC=C3)[O-]

Isomeric SMILES

CN1C=[N+](C2=C1N=CN=C2SC3=CC=CC=C3)[O-]

InChI

InChI=1S/C12H10N4OS/c1-15-8-16(17)10-11(15)13-7-14-12(10)18-9-5-3-2-4-6-9/h2-8H,1H3