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4-[(2-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide

4-[(2-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide

Systemtic Name:4-[(2-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide
Openeye Name:4-[(2-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide
CAS Name:4-[[2-(methylthio)-9-purinyl]methyl]benzenesulfonamide
IUPAC Name:4-[(2-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide
Traditional Name:4-[[2-(methylthio)purin-9-yl]methyl]benzenesulfonamide
Formula: C13H13N5O2S2
MolecularWeight: 335.40462
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)N(C=N2)CC3=CC=C(C=C3)S(=O)(=O)N


Isomeric SMILES

CSC1=NC=C2C(=N1)N(C=N2)CC3=CC=C(C=C3)S(=O)(=O)N


InChI

InChI=1S/C13H13N5O2S2/c1-21-13-15-6-11-12(17-13)18(8-16-11)7-9-2-4-10(5-3-9)22(14,19)20/h2-6,8H,7H2,1H3,(H2,14,19,20)


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