(6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl)methylsulfanylphosphonic acid

Systemtic Name: (6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl)methylsulfanylphosphonic acid Openeye Name: (6-amino-2-oxo-1H-pyrimidin-5-yl)methylsulfanylphosphonic acid CAS Name: [(6-amino-2-oxo-1H-pyrimidin-5-yl)methylthio]phosphonic acid IUPAC Name: (6-amino-2-oxo-1H-pyrimidin-5-yl)methylsulfanylphosphonic acid Traditional Name: [(6-amino-2-keto-1H-pyrimidin-5-yl)methylthio]phosphonic acid Formula: C5H8N3O4PS MolecularWeight: 237.173481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)NC(=C1CSP(=O)(O)O)N

Isomeric SMILES

C1=NC(=O)NC(=C1CSP(=O)(O)O)N

InChI

InChI=1S/C5H8N3O4PS/c6-4-3(1-7-5(9)8-4)2-14-13(10,11)12/h1H,2H2,(H2,10,11,12)(H3,6,7,8,9)