N-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]quinoline-7-carboxamide

Systemtic Name: N-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]quinoline-7-carboxamide Openeye Name: N-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]quinoline-7-carboxamide CAS Name: N-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]-7-quinolinecarboxamide IUPAC Name: N-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]quinoline-7-carboxamide Traditional Name: N-(2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl)quinoline-7-carboxamide Formula: C20H19N7O4 MolecularWeight: 421.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)C(=O)NC3C(C(OC3N4C=NC5=C4N=CN=C5N)CO)O)N=C1

Isomeric SMILES

C1=CC2=C(C=C(C=C2)C(=O)NC3C(C(OC3N4C=NC5=C4N=CN=C5N)CO)O)N=C1

InChI

InChI=1S/C20H19N7O4/c21-17-15-18(24-8-23-17)27(9-25-15)20-14(16(29)13(7-28)31-20)26-19(30)11-4-3-10-2-1-5-22-12(10)6-11/h1-6,8-9,13-14,16,20,28-29H,7H2,(H,26,30)(H2,21,23,24)