3-[2-azanyl-6-(3-hydroxyphenyl)sulfanyl-purin-9-yl]propyl dihydrogen phosphate

Systemtic Name: 3-[2-azanyl-6-(3-hydroxyphenyl)sulfanyl-purin-9-yl]propyl dihydrogen phosphate Openeye Name: 3-[2-amino-6-(3-hydroxyphenyl)sulfanyl-purin-9-yl]propyl dihydrogen phosphate CAS Name: 3-[2-amino-6-[(3-hydroxyphenyl)thio]-9-purinyl]propyl dihydrogen phosphate IUPAC Name: 3-[2-amino-6-(3-hydroxyphenyl)sulfanylpurin-9-yl]propyl dihydrogen phosphate Traditional Name: 3-[2-amino-6-[(3-hydroxyphenyl)thio]purin-9-yl]propyl dihydrogen phosphate Formula: C14H16N5O5PS MolecularWeight: 397.346101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=NC(=NC3=C2N=CN3CCCOP(=O)(O)O)N)O

Isomeric SMILES

C1=CC(=CC(=C1)SC2=NC(=NC3=C2N=CN3CCCOP(=O)(O)O)N)O

InChI

InChI=1S/C14H16N5O5PS/c15-14-17-12-11(13(18-14)26-10-4-1-3-9(20)7-10)16-8-19(12)5-2-6-24-25(21,22)23/h1,3-4,7-8,20H,2,5-6H2,(H2,15,17,18)(H2,21,22,23)