[5-(6-aminopurin-9-yl)-4-[2-(dimethylaminooxy)ethoxy]-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-[2-(dimethylaminooxy)ethoxy]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-aminopurin-9-yl)-4-[2-(dimethylaminooxy)ethoxy]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-aminopurin-9-yl)-4-[2-(dimethylaminooxy)ethoxy]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-[2-(dimethylaminooxy)ethoxy]-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-adenin-9-yl-4-[2-(dimethylaminooxy)ethoxy]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)OCCOC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CN(C)OCCOC1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C21H26N6O6/c1-26(2)32-9-8-30-17-16(28)14(10-31-21(29)13-6-4-3-5-7-13)33-20(17)27-12-25-15-18(22)23-11-24-19(15)27/h3-7,11-12,14,16-17,20,28H,8-10H2,1-2H3,(H2,22,23,24)