8-azanyl-2-methylsulfanyl-9-[3,4,5-tris(oxidanyl)oxan-2-yl]-3H-purin-6-one

Systemtic Name: 8-azanyl-2-methylsulfanyl-9-[3,4,5-tris(oxidanyl)oxan-2-yl]-3H-purin-6-one Openeye Name: 8-amino-2-methylsulfanyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-3H-purin-6-one CAS Name: 8-amino-2-(methylthio)-9-(3,4,5-trihydroxy-2-oxanyl)-3H-purin-6-one IUPAC Name: 8-amino-2-methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)-3H-purin-6-one Traditional Name: 8-amino-2-(methylthio)-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-3H-purin-6-one Formula: C11H15N5O5S MolecularWeight: 329.3323

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C(=N2)N)C3C(C(C(CO3)O)O)O

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C(=N2)N)C3C(C(C(CO3)O)O)O

InChI

InChI=1S/C11H15N5O5S/c1-22-11-14-7-4(8(20)15-11)13-10(12)16(7)9-6(19)5(18)3(17)2-21-9/h3,5-6,9,17-19H,2H2,1H3,(H2,12,13)(H,14,15,20)