6-chloranyl-2,8-bis(methylsulfanyl)-9-phenyl-purine

Systemtic Name: 6-chloranyl-2,8-bis(methylsulfanyl)-9-phenyl-purine Openeye Name: 6-chloro-2,8-bis(methylsulfanyl)-9-phenyl-purine CAS Name: 6-chloro-2,8-bis(methylthio)-9-phenylpurine IUPAC Name: 6-chloro-2,8-bis(methylsulfanyl)-9-phenylpurine Traditional Name: 6-chloro-2,8-bis(methylthio)-9-phenyl-purine Formula: C13H11ClN4S2 MolecularWeight: 322.83624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)Cl)N=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CSC1=NC2=C(C(=N1)Cl)N=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C13H11ClN4S2/c1-19-12-16-10(14)9-11(17-12)18(13(15-9)20-2)8-6-4-3-5-7-8/h3-7H,1-2H3