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

Systemtic Name: [5-(6-benzamidopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(6-benzamido-9-purinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(6-benzamidopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C24H20N6O7 MolecularWeight: 504.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O7/c31-17-10-19(37-18(17)11-36-24(33)15-6-8-16(9-7-15)30(34)35)29-13-27-20-21(25-12-26-22(20)29)28-23(32)14-4-2-1-3-5-14/h1-9,12-13,17-19,31H,10-11H2,(H,25,26,28,32)