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

Systemtic Name: 5-ethynyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-ethynyl-pyrimidine-2,4-dione CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-thiolanyl]-5-ethynylpyrimidine-2,4-dione IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-ethynylpyrimidine-2,4-dione Traditional Name: 1-(3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl)-5-ethynyl-pyrimidine-2,4-quinone Formula: C11H12N2O5S MolecularWeight: 284.28838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5S/c1-2-5-3-13(11(18)12-9(5)17)10-8(16)7(15)6(4-14)19-10/h1,3,6-8,10,14-16H,4H2,(H,12,17,18)