6-chloranyl-8-methyl-2-(phenylmethylsulfanyl)-7H-purine

Systemtic Name: 6-chloranyl-8-methyl-2-(phenylmethylsulfanyl)-7H-purine Openeye Name: 2-benzylsulfanyl-6-chloro-8-methyl-7H-purine CAS Name: 6-chloro-8-methyl-2-(phenylmethylthio)-7H-purine IUPAC Name: 2-benzylsulfanyl-6-chloro-8-methyl-7H-purine Traditional Name: 2-(benzylthio)-6-chloro-8-methyl-7H-purine Formula: C13H11ClN4S MolecularWeight: 290.77124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C13H11ClN4S/c1-8-15-10-11(14)17-13(18-12(10)16-8)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16,17,18)