1-[3,4,5-tris(oxidanyl)thian-2-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[3,4,5-tris(oxidanyl)thian-2-yl]pyrimidine-2,4-dione Openeye Name: 1-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)pyrimidine-2,4-dione CAS Name: 1-(3,4,5-trihydroxy-2-thianyl)pyrimidine-2,4-dione IUPAC Name: 1-(3,4,5-trihydroxythian-2-yl)pyrimidine-2,4-dione Traditional Name: 1-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)pyrimidine-2,4-quinone Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)N2C=CC(=O)NC2=O)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)N2C=CC(=O)NC2=O)O)O)O

InChI

InChI=1S/C9H12N2O5S/c12-4-3-17-8(7(15)6(4)14)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)