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

Systemtic Name: [3-oxidanyl-5-[6-(2-phenoxyethanoylamino)purin-9-yl]oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [3-hydroxy-5-[6-[(2-phenoxyacetyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-hydroxy-5-[6-[(1-oxo-2-phenoxyethyl)amino]-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-[6-[(2-phenoxyacetyl)amino]purin-9-yl]oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-hydroxy-5-[6-[(2-phenoxyacetyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C25H22N6O8 MolecularWeight: 534.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)COC4=CC=CC=C4)COC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3NC(=O)COC4=CC=CC=C4)COC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C25H22N6O8/c32-18-10-21(39-19(18)11-38-25(34)15-6-8-16(9-7-15)31(35)36)30-14-28-22-23(26-13-27-24(22)30)29-20(33)12-37-17-4-2-1-3-5-17/h1-9,13-14,18-19,21,32H,10-12H2,(H,26,27,29,33)