2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-(3-nitrophenyl)purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-(3-nitrophenyl)purin-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-(3-nitrophenyl)purin-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-(3-nitrophenyl)-6-purinone IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(3-nitrophenyl)purin-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1-(3-nitrophenyl)purin-6-one Formula: C16H16N6O6 MolecularWeight: 388.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O6/c17-16-19-14-13(18-7-20(14)12-5-10(24)11(6-23)28-12)15(25)21(16)8-2-1-3-9(4-8)22(26)27/h1-4,7,10-12,23-24H,5-6H2,(H2,17,19)/t10-,11+,12+/m0/s1