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

Systemtic Name: N-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3H-benzimidazole-5-carboxamide CAS Name: N-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-(2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl)-3H-benzimidazole-5-carboxamide Formula: C18H18N8O4 MolecularWeight: 410.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC3C(C(OC3N4C=NC5=C4N=CN=C5N)CO)O)NC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC3C(C(OC3N4C=NC5=C4N=CN=C5N)CO)O)NC=N2

InChI

InChI=1S/C18H18N8O4/c19-15-13-16(23-6-22-15)26(7-24-13)18-12(14(28)11(4-27)30-18)25-17(29)8-1-2-9-10(3-8)21-5-20-9/h1-3,5-7,11-12,14,18,27-28H,4H2,(H,20,21)(H,25,29)(H2,19,22,23)