2-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethylphosphonic acid

Systemtic Name: 2-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethylphosphonic acid Openeye Name: 2-[5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethylphosphonic acid CAS Name: 2-[5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]ethylphosphonic acid IUPAC Name: 2-[5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethylphosphonic acid Traditional Name: 2-[5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]ethylphosphonic acid Formula: C9H14N3O5PS MolecularWeight: 307.263321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N3O5PS/c10-6-1-3-12(9(13)11-6)7-5-19-8(17-7)2-4-18(14,15)16/h1,3,7-8H,2,4-5H2,(H2,10,11,13)(H2,14,15,16)