5-[(1R,2S,5R)-5-(hydroxymethyl)-2-oxidanyl-cyclohexyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(1R,2S,5R)-5-(hydroxymethyl)-2-oxidanyl-cyclohexyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(1R,2S,5R)-2-hydroxy-5-(hydroxymethyl)cyclohexyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(1R,2S,5R)-2-hydroxy-5-(hydroxymethyl)cyclohexyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(1R,2S,5R)-2-hydroxy-5-(hydroxymethyl)cyclohexyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[(1R,2S,5R)-2-hydroxy-5-methylol-cyclohexyl]-2-thioxo-1H-pyrimidin-4-one Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1CO)C2=CNC(=S)NC2=O)O

Isomeric SMILES

C1C[C@@H]([C@H](C[C@@H]1CO)C2=CNC(=S)NC2=O)O

InChI

InChI=1S/C11H16N2O3S/c14-5-6-1-2-9(15)7(3-6)8-4-12-11(17)13-10(8)16/h4,6-7,9,14-15H,1-3,5H2,(H2,12,13,16,17)/t6-,7-,9+/m1/s1