1-[2-azanyl-6-(3-hydroxyphenyl)sulfanyl-purin-9-yl]propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-[2-azanyl-6-(3-hydroxyphenyl)sulfanyl-purin-9-yl]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[2-amino-6-(3-hydroxyphenyl)sulfanyl-purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[2-amino-6-[(3-hydroxyphenyl)thio]-9-purinyl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[2-amino-6-(3-hydroxyphenyl)sulfanylpurin-9-yl]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[2-amino-6-[(3-hydroxyphenyl)thio]purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C15H18N5O5PS MolecularWeight: 411.372681

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2SC3=CC=CC(=C3)O)N)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=C(N=C2SC3=CC=CC(=C3)O)N)OCP(=O)(O)O

InChI

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