2-[2-azanyl-6-(4-propoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(4-propoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(4-propoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(4-propoxyphenyl)thio]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(4-propoxyphenyl)sulfanylpurin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[(4-propoxyphenyl)thio]purin-9-yl]ethoxymethylphosphonic acid Formula: C17H22N5O5PS MolecularWeight: 439.425841

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C17H22N5O5PS/c1-2-8-27-12-3-5-13(6-4-12)29-16-14-15(20-17(18)21-16)22(10-19-14)7-9-26-11-28(23,24)25/h3-6,10H,2,7-9,11H2,1H3,(H2,18,20,21)(H2,23,24,25)