[5-(2-azanyl-5-bromanyl-6-methylsulfanyl-pyrimidin-4-yl)furan-3-yl]phosphonic acid

Systemtic Name: [5-(2-azanyl-5-bromanyl-6-methylsulfanyl-pyrimidin-4-yl)furan-3-yl]phosphonic acid Openeye Name: [5-(2-amino-5-bromo-6-methylsulfanyl-pyrimidin-4-yl)-3-furyl]phosphonic acid CAS Name: [5-[2-amino-5-bromo-6-(methylthio)-4-pyrimidinyl]-3-furanyl]phosphonic acid IUPAC Name: [5-(2-amino-5-bromo-6-methylsulfanylpyrimidin-4-yl)furan-3-yl]phosphonic acid Traditional Name: [5-[2-amino-5-bromo-6-(methylthio)pyrimidin-4-yl]-3-furyl]phosphonic acid Formula: C9H9BrN3O4PS MolecularWeight: 366.128221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1Br)C2=CC(=CO2)P(=O)(O)O)N

Isomeric SMILES

CSC1=NC(=NC(=C1Br)C2=CC(=CO2)P(=O)(O)O)N

InChI

InChI=1S/C9H9BrN3O4PS/c1-19-8-6(10)7(12-9(11)13-8)5-2-4(3-17-5)18(14,15)16/h2-3H,1H3,(H2,11,12,13)(H2,14,15,16)