8-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine CAS Name: 8-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-7H-purin-6-amine IUPAC Name: 8-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-7H-purin-6-yl]amine Formula: C13H10N8O2S MolecularWeight: 342.3359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C13H10N8O2S/c14-11-10-12(16-5-15-11)20-13(19-10)24-4-9-17-7-2-1-6(21(22)23)3-8(7)18-9/h1-3,5H,4H2,(H,17,18)(H3,14,15,16,19,20)