N-[(2R,3R,4S,5R)-2-[6-(1H-benzimidazol-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-4-methoxy-quinoline-2-carboxamide

Systemtic Name: N-[(2R,3R,4S,5R)-2-[6-(1H-benzimidazol-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-4-methoxy-quinoline-2-carboxamide Openeye Name: N-[(2R,3R,4S,5R)-2-[6-(1H-benzimidazol-2-ylmethylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-4-methoxy-quinoline-2-carboxamide CAS Name: N-[(2R,3R,4S,5R)-2-[6-(1H-benzimidazol-2-ylmethylamino)-9-purinyl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]-4-methoxy-2-quinolinecarboxamide IUPAC Name: N-[(2R,3R,4S,5R)-2-[6-(1H-benzimidazol-2-ylmethylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4-methoxyquinoline-2-carboxamide Traditional Name: N-[(2R,3R,4S,5R)-2-[6-(1H-benzimidazol-2-ylmethylamino)purin-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]-4-methoxy-quinaldamide Formula: C29H27N9O5 MolecularWeight: 581.58198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC3C(C(OC3N4C=NC5=C4N=CN=C5NCC6=NC7=CC=CC=C7N6)CO)O

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C4N=CN=C5NCC6=NC7=CC=CC=C7N6)CO)O

InChI

InChI=1S/C29H27N9O5/c1-42-20-10-19(34-16-7-3-2-6-15(16)20)28(41)37-23-25(40)21(12-39)43-29(23)38-14-33-24-26(31-13-32-27(24)38)30-11-22-35-17-8-4-5-9-18(17)36-22/h2-10,13-14,21,23,25,29,39-40H,11-12H2,1H3,(H,35,36)(H,37,41)(H,30,31,32)/t21-,23-,25-,29-/m1/s1