2-[6-[(5-chloranyl-2-propan-2-yloxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 2-[6-[(5-chloranyl-2-propan-2-yloxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 2-[6-[(5-chloro-2-isopropoxy-phenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[6-[(5-chloro-2-propan-2-yloxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 2-[6-[(5-chloro-2-propan-2-yloxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 2-[6-[(5-chloro-2-isopropoxy-benzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H22ClN5O5 MolecularWeight: 447.87218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Cl)CNC2=NC=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Cl)CNC2=NC=NC3=C2N=CN3C4(CC(CO4)O)C(=O)O

InChI

InChI=1S/C20H22ClN5O5/c1-11(2)31-15-4-3-13(21)5-12(15)7-22-17-16-18(24-9-23-17)26(10-25-16)20(19(28)29)6-14(27)8-30-20/h3-5,9-11,14,27H,6-8H2,1-2H3,(H,28,29)(H,22,23,24)