1-[2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxy]ethylphosphonic acid

Systemtic Name: 1-[2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxy]ethylphosphonic acid Openeye Name: 1-[2-(6-methyl-2-thioxo-1H-purin-9-yl)ethoxy]ethylphosphonic acid CAS Name: 1-[2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxy]ethylphosphonic acid IUPAC Name: 1-[2-(6-methyl-2-sulfanylidene-1H-purin-9-yl)ethoxy]ethylphosphonic acid Traditional Name: 1-[2-(6-methyl-2-thioxo-1H-purin-9-yl)ethoxy]ethylphosphonic acid Formula: C10H15N4O4PS MolecularWeight: 318.289261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N4O4PS/c1-6-8-9(13-10(20)12-6)14(5-11-8)3-4-18-7(2)19(15,16)17/h5,7H,3-4H2,1-2H3,(H,12,13,20)(H2,15,16,17)