1-(6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [1-methyl-2-(6-thioxo-3H-purin-9-yl)ethoxy]methylphosphonic acid CAS Name: 1-(6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [1-methyl-2-(6-thioxo-3H-purin-9-yl)ethoxy]methylphosphonic acid Formula: C9H13N4O4PS MolecularWeight: 304.262681

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1NC=NC2=S)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1NC=NC2=S)OCP(=O)(O)O

InChI

InChI=1S/C9H13N4O4PS/c1-6(17-5-18(14,15)16)2-13-4-12-7-8(13)10-3-11-9(7)19/h3-4,6H,2,5H2,1H3,(H,10,11,19)(H2,14,15,16)