1-[(3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[(3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[(3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidine-2,4-dione CAS Name: 1-[(3S,4R)-3,4-bis(hydroxymethyl)-2-thietanyl]pyrimidine-2,4-dione IUPAC Name: 1-[(3S,4R)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidine-2,4-dione Traditional Name: 1-[(3S,4R)-3,4-dimethylolthietan-2-yl]pyrimidine-2,4-quinone Formula: C9H12N2O4S MolecularWeight: 244.26758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(S2)CO)CO

Isomeric SMILES

C1=CN(C(=O)NC1=O)C2[C@H]([C@@H](S2)CO)CO

InChI

InChI=1S/C9H12N2O4S/c12-3-5-6(4-13)16-8(5)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8?/m0/s1