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

Systemtic Name: 6-chloranyl-2-(phenylmethylsulfanyl)-7H-purine Openeye Name: 2-benzylsulfanyl-6-chloro-7H-purine CAS Name: 6-chloro-2-(phenylmethylthio)-7H-purine IUPAC Name: 2-benzylsulfanyl-6-chloro-7H-purine Traditional Name: 2-(benzylthio)-6-chloro-7H-purine Formula: C12H9ClN4S MolecularWeight: 276.74466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)NC=N3

InChI

InChI=1S/C12H9ClN4S/c13-10-9-11(15-7-14-9)17-12(16-10)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15,16,17)