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9-methylsulfonyl-2-(phenylmethylsulfanyl)-3H-purin-6-one

9-methylsulfonyl-2-(phenylmethylsulfanyl)-3H-purin-6-one

Systemtic Name:9-methylsulfonyl-2-(phenylmethylsulfanyl)-3H-purin-6-one
Openeye Name:2-benzylsulfanyl-9-methylsulfonyl-3H-purin-6-one
CAS Name:9-methylsulfonyl-2-(phenylmethylthio)-3H-purin-6-one
IUPAC Name:2-benzylsulfanyl-9-methylsulfonyl-3H-purin-6-one
Traditional Name:2-(benzylthio)-9-mesyl-3H-purin-6-one
Formula: C13H12N4O3S2
MolecularWeight: 336.38938
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=NC2=C1NC(=NC2=O)SCC3=CC=CC=C3


Isomeric SMILES

CS(=O)(=O)N1C=NC2=C1NC(=NC2=O)SCC3=CC=CC=C3


InChI

InChI=1S/C13H12N4O3S2/c1-22(19,20)17-8-14-10-11(17)15-13(16-12(10)18)21-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16,18)


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