3-[2-(2-azanyl-6-ethylsulfanyl-purin-9-yl)ethoxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(2-azanyl-6-ethylsulfanyl-purin-9-yl)ethoxy]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(2-amino-6-ethylsulfanyl-purin-9-yl)ethoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-[2-amino-6-(ethylthio)-9-purinyl]ethoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(2-amino-6-ethylsulfanylpurin-9-yl)ethoxy]pentan-3-ylphosphonic acid Traditional Name: [1-[2-[2-amino-6-(ethylthio)purin-9-yl]ethoxy]-1-ethyl-propyl]phosphonic acid Formula: C14H24N5O4PS MolecularWeight: 389.410221

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OCCN1C=NC2=C1N=C(N=C2SCC)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OCCN1C=NC2=C1N=C(N=C2SCC)N)P(=O)(O)O

InChI

InChI=1S/C14H24N5O4PS/c1-4-14(5-2,24(20,21)22)23-8-7-19-9-16-10-11(19)17-13(15)18-12(10)25-6-3/h9H,4-8H2,1-3H3,(H2,15,17,18)(H2,20,21,22)