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

Systemtic Name: 2-[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(4-methoxyphenyl)thio]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[(4-methoxyphenyl)thio]purin-9-yl]ethoxymethylphosphonic acid Formula: C15H18N5O5PS MolecularWeight: 411.372681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C15H18N5O5PS/c1-24-10-2-4-11(5-3-10)27-14-12-13(18-15(16)19-14)20(8-17-12)6-7-25-9-26(21,22)23/h2-5,8H,6-7,9H2,1H3,(H2,16,18,19)(H2,21,22,23)