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

Systemtic Name: 4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one hydrochloride Openeye Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one hydrochloride CAS Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-thiolanyl]-2-pyrimidinone hydrochloride IUPAC Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one hydrochloride Traditional Name: 4-amino-1-(3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl)pyrimidin-2-one hydrochloride Formula: C9H14ClN3O4S MolecularWeight: 295.74316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)O.Cl

Isomeric SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)O.Cl

InChI

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