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

Systemtic Name: 2-[[6-tert-butyl-3,4,5-tris(oxidanyl)oxan-2-yl]methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(6-tert-butyl-3,4,5-trihydroxy-tetrahydropyran-2-yl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(6-tert-butyl-3,4,5-trihydroxy-2-oxanyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(6-tert-butyl-3,4,5-trihydroxyoxan-2-yl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(6-tert-butyl-3,4,5-trihydroxy-tetrahydropyran-2-yl)methylthio]-1H-pyrimidin-6-one Formula: C14H22N2O5S MolecularWeight: 330.39988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(C(C(C(O1)CSC2=NC=CC(=O)N2)O)O)O

Isomeric SMILES

CC(C)(C)C1C(C(C(C(O1)CSC2=NC=CC(=O)N2)O)O)O

InChI

InChI=1S/C14H22N2O5S/c1-14(2,3)12-11(20)10(19)9(18)7(21-12)6-22-13-15-5-4-8(17)16-13/h4-5,7,9-12,18-20H,6H2,1-3H3,(H,15,16,17)