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6-(phenylsulfanylmethyl)-7H-purine

6-(phenylsulfanylmethyl)-7H-purine

Systemtic Name:6-(phenylsulfanylmethyl)-7H-purine
Openeye Name:6-(phenylsulfanylmethyl)-7H-purine
CAS Name:6-[(phenylthio)methyl]-7H-purine
IUPAC Name:6-(phenylsulfanylmethyl)-7H-purine
Traditional Name:6-[(phenylthio)methyl]-7H-purine
Formula: C12H10N4S
MolecularWeight: 242.2996
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C3C(=NC=N2)N=CN3


Isomeric SMILES

C1=CC=C(C=C1)SCC2=C3C(=NC=N2)N=CN3


InChI

InChI=1S/C12H10N4S/c1-2-4-9(5-3-1)17-6-10-11-12(15-7-13-10)16-8-14-11/h1-5,7-8H,6H2,(H,13,14,15,16)


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