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

Systemtic Name: 3-[2-(2-azanyl-6-phenylsulfanyl-purin-9-yl)ethoxy]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(2-amino-6-phenylsulfanyl-purin-9-yl)ethoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[2-[2-amino-6-(phenylthio)-9-purinyl]ethoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(2-amino-6-phenylsulfanylpurin-9-yl)ethoxy]pentan-3-ylphosphonic acid Traditional Name: [1-[2-[2-amino-6-(phenylthio)purin-9-yl]ethoxy]-1-ethyl-propyl]phosphonic acid Formula: C18H24N5O4PS MolecularWeight: 437.453021

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OCCN1C=NC2=C1N=C(N=C2SC3=CC=CC=C3)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OCCN1C=NC2=C1N=C(N=C2SC3=CC=CC=C3)N)P(=O)(O)O

InChI

InChI=1S/C18H24N5O4PS/c1-3-18(4-2,28(24,25)26)27-11-10-23-12-20-14-15(23)21-17(19)22-16(14)29-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,19,21,22)(H2,24,25,26)