6-[2-(dioxidanyl)-2-methoxy-propyl]sulfanyl-7H-purine

Systemtic Name: 6-[2-(dioxidanyl)-2-methoxy-propyl]sulfanyl-7H-purine Openeye Name: 6-(2-hydroperoxy-2-methoxy-propyl)sulfanyl-7H-purine CAS Name: 6-[(2-hydroperoxy-2-methoxypropyl)thio]-7H-purine IUPAC Name: 6-(2-hydroperoxy-2-methoxypropyl)sulfanyl-7H-purine Traditional Name: 6-[(2-hydroperoxy-2-methoxy-propyl)thio]-7H-purine Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC=NC2=C1NC=N2)(OC)OO

Isomeric SMILES

CC(CSC1=NC=NC2=C1NC=N2)(OC)OO

InChI

InChI=1S/C9H12N4O3S/c1-9(15-2,16-14)3-17-8-6-7(11-4-10-6)12-5-13-8/h4-5,14H,3H2,1-2H3,(H,10,11,12,13)