1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-thiolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-(3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl)-5-methyl-pyrimidine-2,4-quinone Formula: C20H28N4O10S2 MolecularWeight: 548.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2C(C(C(S2)CO)O)O.CC1=CN(C(=O)NC1=O)C2C(C(C(S2)CO)O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2C(C(C(S2)CO)O)O.CC1=CN(C(=O)NC1=O)C2C(C(C(S2)CO)O)O

InChI

InChI=1S/2C10H14N2O5S/c2*1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2*2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)