6-(1,3-benzodioxol-5-ylmethylsulfanyl)-7H-purine

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylsulfanyl)-7H-purine Openeye Name: 6-(1,3-benzodioxol-5-ylmethylsulfanyl)-7H-purine CAS Name: 6-(1,3-benzodioxol-5-ylmethylthio)-7H-purine IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylsulfanyl)-7H-purine Traditional Name: 6-(piperonylthio)-7H-purine Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C13H10N4O2S/c1-2-9-10(19-7-18-9)3-8(1)4-20-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6H,4,7H2,(H,14,15,16,17)