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

Systemtic Name: 3-azanyl-5-[6-[(5-chloranyl-2-propan-2-yloxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[(5-chloro-2-isopropoxy-phenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[(5-chloro-2-propan-2-yloxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[(5-chloro-2-propan-2-yloxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[(5-chloro-2-isopropoxy-benzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H23ClN6O5 MolecularWeight: 462.88682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Cl)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Cl)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)C(=O)O)N)O

InChI

InChI=1S/C20H23ClN6O5/c1-9(2)31-12-4-3-11(21)5-10(12)6-23-17-14-18(25-7-24-17)27(8-26-14)19-15(28)13(22)16(32-19)20(29)30/h3-5,7-9,13,15-16,19,28H,6,22H2,1-2H3,(H,29,30)(H,23,24,25)