9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-(4-nitrophenyl)purin-6-one

Systemtic Name: 9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-(4-nitrophenyl)purin-6-one Openeye Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-(4-nitrophenyl)purin-6-one CAS Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(4-nitrophenyl)-6-purinone IUPAC Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(4-nitrophenyl)purin-6-one Traditional Name: 9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1-(4-nitrophenyl)purin-6-one Formula: C16H15N5O6 MolecularWeight: 373.3202

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])CO)O

InChI

InChI=1S/C16H15N5O6/c22-6-12-11(23)5-13(27-12)20-7-17-14-15(20)18-8-19(16(14)24)9-1-3-10(4-2-9)21(25)26/h1-4,7-8,11-13,22-23H,5-6H2/t11-,12+,13+/m0/s1