6-[2-(phenylmethylsulfanyl)ethyl]-7H-purine

Systemtic Name: 6-[2-(phenylmethylsulfanyl)ethyl]-7H-purine Openeye Name: 6-(2-benzylsulfanylethyl)-7H-purine CAS Name: 6-[2-(phenylmethylthio)ethyl]-7H-purine IUPAC Name: 6-(2-benzylsulfanylethyl)-7H-purine Traditional Name: 6-[2-(benzylthio)ethyl]-7H-purine Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC2=C3C(=NC=N2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)CSCCC2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C14H14N4S/c1-2-4-11(5-3-1)8-19-7-6-12-13-14(17-9-15-12)18-10-16-13/h1-5,9-10H,6-8H2,(H,15,16,17,18)