[3-azido-2-methyl-5-(phenylcarbonyloxy)-6-(7H-purin-6-ylamino)oxan-4-yl] benzoate

Systemtic Name: [3-azido-2-methyl-5-(phenylcarbonyloxy)-6-(7H-purin-6-ylamino)oxan-4-yl] benzoate Openeye Name: [3-azido-5-benzoyloxy-2-methyl-6-(7H-purin-6-ylamino)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [3-azido-5-benzoyloxy-2-methyl-6-(7H-purin-6-ylamino)-4-oxanyl] ester IUPAC Name: [3-azido-5-benzoyloxy-2-methyl-6-(7H-purin-6-ylamino)oxan-4-yl] benzoate Traditional Name: benzoic acid [3-azido-5-benzoyloxy-2-methyl-6-(7H-purin-6-ylamino)tetrahydropyran-4-yl] ester Formula: C25H22N8O5 MolecularWeight: 514.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N=[N+]=[N-]

Isomeric SMILES

CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N=[N+]=[N-]

InChI

InChI=1S/C25H22N8O5/c1-14-17(32-33-26)19(37-24(34)15-8-4-2-5-9-15)20(38-25(35)16-10-6-3-7-11-16)23(36-14)31-22-18-21(28-12-27-18)29-13-30-22/h2-14,17,19-20,23H,1H3,(H2,27,28,29,30,31)