3,4,5-tris(oxidanyl)-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxamide

Systemtic Name: 3,4,5-tris(oxidanyl)-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxamide Openeye Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)tetrahydropyran-2-carboxamide CAS Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)-2-oxanecarboxamide IUPAC Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylsulfanyl)oxane-2-carboxamide Traditional Name: 3,4,5-trihydroxy-6-(7H-purin-6-ylthio)tetrahydropyran-2-carboxamide Formula: C11H13N5O5S MolecularWeight: 327.31642

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC3C(C(C(C(O3)C(=O)N)O)O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SC3C(C(C(C(O3)C(=O)N)O)O)O

InChI

InChI=1S/C11H13N5O5S/c12-8(20)7-5(18)4(17)6(19)11(21-7)22-10-3-9(14-1-13-3)15-2-16-10/h1-2,4-7,11,17-19H,(H2,12,20)(H,13,14,15,16)