2-(2-azanyl-6-propylsulfanyl-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-6-propylsulfanyl-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-propylsulfanyl-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(propylthio)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-propylsulfanylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(propylthio)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H18N5O4PS MolecularWeight: 347.330481

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

CCCSC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C11H18N5O4PS/c1-2-5-22-10-8-9(14-11(12)15-10)16(6-13-8)3-4-20-7-21(17,18)19/h6H,2-5,7H2,1H3,(H2,12,14,15)(H2,17,18,19)