methyl 3-azido-5-(6-benzamidopurin-9-yl)-4-oxidanyl-oxolane-2-carboxylate

Systemtic Name: methyl 3-azido-5-(6-benzamidopurin-9-yl)-4-oxidanyl-oxolane-2-carboxylate Openeye Name: methyl 3-azido-5-(6-benzamidopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylate CAS Name: 3-azido-5-(6-benzamido-9-purinyl)-4-hydroxy-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 3-azido-5-(6-benzamidopurin-9-yl)-4-hydroxyoxolane-2-carboxylate Traditional Name: 3-azido-5-(6-benzamidopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid methyl ester Formula: C18H16N8O5 MolecularWeight: 424.37024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)N=[N+]=[N-]

Isomeric SMILES

COC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)N=[N+]=[N-]

InChI

InChI=1S/C18H16N8O5/c1-30-18(29)13-10(24-25-19)12(27)17(31-13)26-8-22-11-14(20-7-21-15(11)26)23-16(28)9-5-3-2-4-6-9/h2-8,10,12-13,17,27H,1H3,(H,20,21,23,28)