3-[2-azanyl-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]propyl dihydrogen phosphate

Systemtic Name: 3-[2-azanyl-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]propyl dihydrogen phosphate Openeye Name: 3-[2-amino-6-(4-hydroxyphenyl)sulfanyl-purin-9-yl]propyl dihydrogen phosphate CAS Name: 3-[2-amino-6-[(4-hydroxyphenyl)thio]-9-purinyl]propyl dihydrogen phosphate IUPAC Name: 3-[2-amino-6-(4-hydroxyphenyl)sulfanylpurin-9-yl]propyl dihydrogen phosphate Traditional Name: 3-[2-amino-6-[(4-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=C1O)SC2=NC(=NC3=C2N=CN3CCCOP(=O)(O)O)N

Isomeric SMILES

C1=CC(=CC=C1O)SC2=NC(=NC3=C2N=CN3CCCOP(=O)(O)O)N

InChI

InChI=1S/C14H16N5O5PS/c15-14-17-12-11(13(18-14)26-10-4-2-9(20)3-5-10)16-8-19(12)6-1-7-24-25(21,22)23/h2-5,8,20H,1,6-7H2,(H2,15,17,18)(H2,21,22,23)