8-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purin-6-amine

Systemtic Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purin-6-amine Openeye Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purin-6-amine CAS Name: 8-(1H-benzimidazol-2-ylmethylthio)-7H-purin-6-amine IUPAC Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-7H-purin-6-amine Traditional Name: [8-(1H-benzimidazol-2-ylmethylthio)-7H-purin-6-yl]amine Formula: C13H11N7S MolecularWeight: 297.33834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C13H11N7S/c14-11-10-12(16-6-15-11)20-13(19-10)21-5-9-17-7-3-1-2-4-8(7)18-9/h1-4,6H,5H2,(H,17,18)(H3,14,15,16,19,20)