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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COCCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

InChI

InChI=1S/C19H22ClN5O5/c20-19-23-16(21-6-7-29-9-11-4-2-1-3-5-11)13-17(24-19)25(10-22-13)18-15(28)14(27)12(8-26)30-18/h1-5,10,12,14-15,18,26-28H,6-9H2,(H,21,23,24)