6-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7H-purine Openeye Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7H-purine CAS Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7H-purine IUPAC Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7H-purine Traditional Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7H-purine Formula: C13H9ClN4O2S MolecularWeight: 320.75416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4O2S/c14-8-2-10-9(19-6-20-10)1-7(8)3-21-13-11-12(16-4-15-11)17-5-18-13/h1-2,4-5H,3,6H2,(H,15,16,17,18)