[4,5-diacetyloxy-6-(6-benzamidopurin-9-yl)-2-(nitromethyl)oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-(6-benzamidopurin-9-yl)-2-(nitromethyl)oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(6-benzamidopurin-9-yl)-2-(nitromethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-(6-benzamido-9-purinyl)-2-(nitromethyl)-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-(6-benzamidopurin-9-yl)-2-(nitromethyl)oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-(6-benzamidopurin-9-yl)-2-(nitromethyl)tetrahydropyran-3-yl] ester Formula: C24H24N6O10 MolecularWeight: 556.48156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)C[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)C[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O10/c1-12(31)37-18-16(9-30(35)36)40-24(20(39-14(3)33)19(18)38-13(2)32)29-11-27-17-21(25-10-26-22(17)29)28-23(34)15-7-5-4-6-8-15/h4-8,10-11,16,18-20,24H,9H2,1-3H3,(H,25,26,28,34)