5-oxidanyl-2-(5H-purin-6-ylsulfanylmethyl)pyran-4-one

Systemtic Name: 5-oxidanyl-2-(5H-purin-6-ylsulfanylmethyl)pyran-4-one Openeye Name: 5-hydroxy-2-(5H-purin-6-ylsulfanylmethyl)pyran-4-one CAS Name: 5-hydroxy-2-[(5H-purin-6-ylthio)methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-(5H-purin-6-ylsulfanylmethyl)pyran-4-one Traditional Name: 5-hydroxy-2-[(5H-purin-6-ylthio)methyl]pyran-4-one Formula: C11H8N4O3S MolecularWeight: 276.27122

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC=C(C1=O)O)CSC2=NC=NC3=NC=NC32

Isomeric SMILES

C1=C(OC=C(C1=O)O)CSC2=NC=NC3=NC=NC32

InChI

InChI=1S/C11H8N4O3S/c16-7-1-6(18-2-8(7)17)3-19-11-9-10(13-4-12-9)14-5-15-11/h1-2,4-5,9,17H,3H2