2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-methyl-2-thioxo-1H-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-methyl-2-thioxo-1H-purin-9-yl)ethoxymethylphosphonic acid Formula: C9H13N4O4PS MolecularWeight: 304.262681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=S)N1)N(C=N2)CCOCP(=O)(O)O

Isomeric SMILES

CC1=C2C(=NC(=S)N1)N(C=N2)CCOCP(=O)(O)O

InChI

InChI=1S/C9H13N4O4PS/c1-6-7-8(12-9(19)11-6)13(4-10-7)2-3-17-5-18(14,15)16/h4H,2-3,5H2,1H3,(H,11,12,19)(H2,14,15,16)