2-[2-chloranyl-6-(2-phenoxypropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[2-chloranyl-6-(2-phenoxypropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-(2-phenoxypropylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-(2-phenoxypropylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-(2-phenoxypropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-(2-phenoxypropylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H22ClN5O5 MolecularWeight: 435.86148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)Cl)OC4=CC=CC=C4

Isomeric SMILES

CC(CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C19H22ClN5O5/c1-10(29-11-5-3-2-4-6-11)7-21-16-13-17(24-19(20)23-16)25(9-22-13)18-15(28)14(27)12(8-26)30-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,21,23,24)