6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-5-iodanyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-5-iodanyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-iodo-2-methylsulfanyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-1H-pyrimidin-4-one CAS Name: 5-iodo-2-(methylthio)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]-1H-pyrimidin-4-one IUPAC Name: 5-iodo-2-methylsulfanyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-4-one Traditional Name: 5-iodo-2-(methylthio)-6-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)amino]-1H-pyrimidin-4-one Formula: C11H16IN3O6S MolecularWeight: 445.23071

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)NC2C(C(C(C(O2)CO)O)O)O)I

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)NC2C(C(C(C(O2)CO)O)O)O)I

InChI

InChI=1S/C11H16IN3O6S/c1-22-11-14-8(4(12)9(20)15-11)13-10-7(19)6(18)5(17)3(2-16)21-10/h3,5-7,10,16-19H,2H2,1H3,(H2,13,14,15,20)