6-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purine

Systemtic Name: 6-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purine Openeye Name: 6-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purine CAS Name: 6-(1H-benzimidazol-2-ylmethylthio)-7H-purine IUPAC Name: 6-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purine Traditional Name: 6-(1H-benzimidazol-2-ylmethylthio)-7H-purine Formula: C13H10N6S MolecularWeight: 282.3237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C13H10N6S/c1-2-4-9-8(3-1)18-10(19-9)5-20-13-11-12(15-6-14-11)16-7-17-13/h1-4,6-7H,5H2,(H,18,19)(H,14,15,16,17)