[2-azanyl-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]methoxymethylphosphonic acid

Systemtic Name: [2-azanyl-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]methoxymethylphosphonic acid Openeye Name: [2-amino-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]methoxymethylphosphonic acid CAS Name: [2-amino-6-[(4-hydroxyphenyl)thio]-9-purinyl]methoxymethylphosphonic acid IUPAC Name: [2-amino-6-(4-hydroxyphenyl)sulfanylpurin-9-yl]methoxymethylphosphonic acid Traditional Name: [2-amino-6-[(4-hydroxyphenyl)thio]purin-9-yl]methoxymethylphosphonic acid Formula: C13H14N5O5PS MolecularWeight: 383.319521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SC2=NC(=NC3=C2N=CN3COCP(=O)(O)O)N

Isomeric SMILES

C1=CC(=CC=C1O)SC2=NC(=NC3=C2N=CN3COCP(=O)(O)O)N

InChI

InChI=1S/C13H14N5O5PS/c14-13-16-11-10(15-5-18(11)6-23-7-24(20,21)22)12(17-13)25-9-3-1-8(19)2-4-9/h1-5,19H,6-7H2,(H2,14,16,17)(H2,20,21,22)