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

Systemtic Name: 8-[2-(6-nitro-1H-benzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[2-(6-nitro-1H-benzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine CAS Name: 8-[2-(6-nitro-1H-benzimidazol-2-yl)ethylthio]-7H-purin-6-amine IUPAC Name: 8-[2-(6-nitro-1H-benzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[2-(6-nitro-1H-benzimidazol-2-yl)ethylthio]-7H-purin-6-yl]amine Formula: C14H12N8O2S MolecularWeight: 356.36248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C14H12N8O2S/c15-12-11-13(17-6-16-12)21-14(20-11)25-4-3-10-18-8-2-1-7(22(23)24)5-9(8)19-10/h1-2,5-6H,3-4H2,(H,18,19)(H3,15,16,17,20,21)