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6-(phenylmethylsulfanyl)-7H-purine-8-thiolate

6-(phenylmethylsulfanyl)-7H-purine-8-thiolate

Systemtic Name:6-(phenylmethylsulfanyl)-7H-purine-8-thiolate
Openeye Name:6-benzylsulfanyl-7H-purine-8-thiolate
CAS Name:6-(phenylmethylthio)-7H-purine-8-thiolate
IUPAC Name:6-benzylsulfanyl-7H-purine-8-thiolate
Traditional Name:6-(benzylthio)-7H-purine-8-thiolate
Formula: C12H9N4S2-
MolecularWeight: 273.35666
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC(=N3)[S-]


Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC(=N3)[S-]


InChI

InChI=1S/C12H10N4S2/c17-12-15-9-10(16-12)13-7-14-11(9)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)/p-1


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