N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)oxan-2-yl]oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)oxan-2-yl]oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-(3,4,5-trihydroxytetrahydropyran-2-yl)tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-(3,4,5-trihydroxy-2-oxanyl)-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-(3,4,5-trihydroxyoxan-2-yl)oxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[3,4-dihydroxy-5-methylol-2-(3,4,5-trihydroxytetrahydropyran-2-yl)tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C22H25N5O9 MolecularWeight: 503.462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)C2(C(C(C(O2)CO)O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)O)O

Isomeric SMILES

C1C(C(C(C(O1)C2(C(C(C(O2)CO)O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)O)O

InChI

InChI=1S/C22H25N5O9/c28-6-12-15(31)17(33)22(36-12,18-16(32)14(30)11(29)7-35-18)27-9-25-13-19(23-8-24-20(13)27)26-21(34)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-18,28-33H,6-7H2,(H,23,24,26,34)