[5-(2-methylsulfanylpyrimidin-4-yl)furan-3-yl]phosphonic acid

Systemtic Name: [5-(2-methylsulfanylpyrimidin-4-yl)furan-3-yl]phosphonic acid Openeye Name: [5-(2-methylsulfanylpyrimidin-4-yl)-3-furyl]phosphonic acid CAS Name: [5-[2-(methylthio)-4-pyrimidinyl]-3-furanyl]phosphonic acid IUPAC Name: [5-(2-methylsulfanylpyrimidin-4-yl)furan-3-yl]phosphonic acid Traditional Name: [5-[2-(methylthio)pyrimidin-4-yl]-3-furyl]phosphonic acid Formula: C9H9N2O4PS MolecularWeight: 272.217521

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC(=CO2)P(=O)(O)O

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC(=CO2)P(=O)(O)O

InChI

InChI=1S/C9H9N2O4PS/c1-17-9-10-3-2-7(11-9)8-4-6(5-15-8)16(12,13)14/h2-5H,1H3,(H2,12,13,14)