[1-oxidanyl-3-(6-sulfanylidene-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-oxidanyl-3-(6-sulfanylidene-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-(hydroxymethyl)-2-(6-thioxo-3H-purin-9-yl)ethoxy]methylphosphonic acid CAS Name: [1-hydroxy-3-(6-sulfanylidene-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-hydroxy-3-(6-sulfanylidene-3H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [1-methylol-2-(6-thioxo-3H-purin-9-yl)ethoxy]methylphosphonic acid Formula: C9H13N4O5PS MolecularWeight: 320.262081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CC(CO)OCP(=O)(O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CC(CO)OCP(=O)(O)O

InChI

InChI=1S/C9H13N4O5PS/c14-2-6(18-5-19(15,16)17)1-13-4-12-7-8(13)10-3-11-9(7)20/h3-4,6,14H,1-2,5H2,(H,10,11,20)(H2,15,16,17)