[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-(4-nitrophenyl)methanone

Systemtic Name: [2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-(4-nitrophenyl)methanone Openeye Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-(4-nitrophenyl)methanone CAS Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-(4-nitrophenyl)methanone IUPAC Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-(4-nitrophenyl)methanone Traditional Name: (2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-(4-nitrophenyl)methanone Formula: C17H16N6O6 MolecularWeight: 400.34554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC4=C3N=CN=C4N)CO)O

Isomeric SMILES

C1C(C(OC1(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC4=C3N=CN=C4N)CO)O

InChI

InChI=1S/C17H16N6O6/c18-15-13-16(20-7-19-15)22(8-21-13)17(5-11(25)12(6-24)29-17)14(26)9-1-3-10(4-2-9)23(27)28/h1-4,7-8,11-12,24-25H,5-6H2,(H2,18,19,20)