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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=N3)Cl

InChI

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