6-(7H-purin-6-yloxy)-1,3-benzoxathiol-2-one

Systemtic Name: 6-(7H-purin-6-yloxy)-1,3-benzoxathiol-2-one Openeye Name: 6-(7H-purin-6-yloxy)-1,3-benzoxathiol-2-one CAS Name: 6-(7H-purin-6-yloxy)-1,3-benzoxathiol-2-one IUPAC Name: 6-(7H-purin-6-yloxy)-1,3-benzoxathiol-2-one Traditional Name: 6-(7H-purin-6-yloxy)-1,3-benzoxathiol-2-one Formula: C12H6N4O3S MolecularWeight: 286.26604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC3=NC=NC4=C3NC=N4)OC(=O)S2

Isomeric SMILES

C1=CC2=C(C=C1OC3=NC=NC4=C3NC=N4)OC(=O)S2

InChI

InChI=1S/C12H6N4O3S/c17-12-19-7-3-6(1-2-8(7)20-12)18-11-9-10(14-4-13-9)15-5-16-11/h1-5H,(H,13,14,15,16)