(3-chlorophenyl) [1-cyclobutyl-3-(hydroxymethyl)-2H-purin-2-yl]methyl hydrogen phosphate

Systemtic Name: (3-chlorophenyl) [1-cyclobutyl-3-(hydroxymethyl)-2H-purin-2-yl]methyl hydrogen phosphate Openeye Name: (3-chlorophenyl) [1-cyclobutyl-3-(hydroxymethyl)-2H-purin-2-yl]methyl hydrogen phosphate CAS Name: (3-chlorophenyl) [1-cyclobutyl-3-(hydroxymethyl)-2H-purin-2-yl]methyl hydrogen phosphate IUPAC Name: (3-chlorophenyl) [1-cyclobutyl-3-(hydroxymethyl)-2H-purin-2-yl]methyl hydrogen phosphate Traditional Name: (3-chlorophenyl) (1-cyclobutyl-3-methylol-2H-purin-2-yl)methyl hydrogen phosphate Formula: C17H20ClN4O5P MolecularWeight: 426.791261

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C=C3C(=NC=N3)N(C2COP(=O)(O)OC4=CC(=CC=C4)Cl)CO

Isomeric SMILES

C1CC(C1)N2C=C3C(=NC=N3)N(C2COP(=O)(O)OC4=CC(=CC=C4)Cl)CO

InChI

InChI=1S/C17H20ClN4O5P/c18-12-3-1-6-14(7-12)27-28(24,25)26-9-16-21(13-4-2-5-13)8-15-17(20-10-19-15)22(16)11-23/h1,3,6-8,10,13,16,23H,2,4-5,9,11H2,(H,24,25)