2-(2,8-dipropyl-6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2,8-dipropyl-6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2,8-dipropyl-6-thioxo-3H-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(2,8-dipropyl-6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(2,8-dipropyl-6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2,8-dipropyl-6-thioxo-3H-purin-9-yl)ethoxymethylphosphonic acid Formula: C14H23N4O4PS MolecularWeight: 374.395581

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=S)C2=C(N1)N(C(=N2)CCC)CCOCP(=O)(O)O

Isomeric SMILES

CCCC1=NC(=S)C2=C(N1)N(C(=N2)CCC)CCOCP(=O)(O)O

InChI

InChI=1S/C14H23N4O4PS/c1-3-5-10-15-13-12(14(24)16-10)17-11(6-4-2)18(13)7-8-22-9-23(19,20)21/h3-9H2,1-2H3,(H,15,16,24)(H2,19,20,21)