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

Systemtic Name: 1-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-(2-amino-6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(2-amino-6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C9H14N5O4PS MolecularWeight: 319.277321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N5O4PS/c1-5(18-4-19(15,16)17)2-14-3-11-6-7(14)12-9(10)13-8(6)20/h3,5H,2,4H2,1H3,(H2,15,16,17)(H3,10,12,13,20)