1-[2-[2-(6-oxidanylidene-7H-purin-1-yl)ethyldisulfanyl]ethyl]-7H-purin-6-one

Systemtic Name: 1-[2-[2-(6-oxidanylidene-7H-purin-1-yl)ethyldisulfanyl]ethyl]-7H-purin-6-one Openeye Name: 1-[2-[2-(6-oxo-7H-purin-1-yl)ethyldisulfanyl]ethyl]-7H-purin-6-one CAS Name: 1-[2-[2-(6-oxo-7H-purin-1-yl)ethyldisulfanyl]ethyl]-7H-purin-6-one IUPAC Name: 1-[2-[2-(6-oxo-7H-purin-1-yl)ethyldisulfanyl]ethyl]-7H-purin-6-one Traditional Name: 1-[2-[2-(6-keto-7H-purin-1-yl)ethyldisulfanyl]ethyl]-7H-purin-6-one Formula: C14H14N8O2S2 MolecularWeight: 390.44336

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N(C=N2)CCSSCCN3C=NC4=C(C3=O)NC=N4

Isomeric SMILES

C1=NC2=C(N1)C(=O)N(C=N2)CCSSCCN3C=NC4=C(C3=O)NC=N4

InChI

InChI=1S/C14H14N8O2S2/c23-13-9-11(17-5-15-9)19-7-21(13)1-3-25-26-4-2-22-8-20-12-10(14(22)24)16-6-18-12/h5-8H,1-4H2,(H,15,17)(H,16,18)