6-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]oxane-2,5-dione

Systemtic Name: 6-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]oxane-2,5-dione Openeye Name: 6-[5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]tetrahydropyran-2,5-dione CAS Name: 6-[5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]oxane-2,5-dione IUPAC Name: 6-[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]oxane-2,5-dione Traditional Name: 6-[5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]tetrahydropyran-2,5-quinone Formula: C12H13N3O5S MolecularWeight: 311.31372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC(C1=O)C2OC(CS2)N3C=CC(=NC3=O)N

Isomeric SMILES

C1CC(=O)OC(C1=O)C2OC(CS2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C12H13N3O5S/c13-7-3-4-15(12(18)14-7)8-5-21-11(19-8)10-6(16)1-2-9(17)20-10/h3-4,8,10-11H,1-2,5H2,(H2,13,14,18)