4-azanyl-1-[2,2-bis(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[2,2-bis(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[2,2-bis(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one CAS Name: 4-amino-1-[2,2-bis(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone IUPAC Name: 4-amino-1-[2,2-bis(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one Traditional Name: 4-amino-1-(2,2-dimethylol-1,3-oxathiolan-5-yl)pyrimidin-2-one Formula: C9H13N3O4S MolecularWeight: 259.28222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)(CO)CO)N2C=CC(=NC2=O)N

Isomeric SMILES

C1C(OC(S1)(CO)CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C9H13N3O4S/c10-6-1-2-12(8(15)11-6)7-3-17-9(4-13,5-14)16-7/h1-2,7,13-14H,3-5H2,(H2,10,11,15)