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6-[(phenylmethylsulfanyl)methyl]-7H-purine

6-[(phenylmethylsulfanyl)methyl]-7H-purine

Systemtic Name:6-[(phenylmethylsulfanyl)methyl]-7H-purine
Openeye Name:6-(benzylsulfanylmethyl)-7H-purine
CAS Name:6-[(phenylmethylthio)methyl]-7H-purine
IUPAC Name:6-(benzylsulfanylmethyl)-7H-purine
Traditional Name:6-[(benzylthio)methyl]-7H-purine
Formula: C13H12N4S
MolecularWeight: 256.32618
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C3C(=NC=N2)N=CN3


Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C3C(=NC=N2)N=CN3


InChI

InChI=1S/C13H12N4S/c1-2-4-10(5-3-1)6-18-7-11-12-13(16-8-14-11)17-9-15-12/h1-5,8-9H,6-7H2,(H,14,15,16,17)


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