[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H16N6O7 MolecularWeight: 416.34494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N6O7/c18-17-20-14-13(15(25)21-17)19-7-22(14)12-5-10(24)11(30-12)6-29-16(26)8-1-3-9(4-2-8)23(27)28/h1-4,7,10-12,24H,5-6H2,(H3,18,20,21,25)