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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)SC)Cl

Isomeric SMILES

CSC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)SC)Cl

InChI

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