5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethanoyl)amino]oxolane-2-carboxylic acid

Systemtic Name: 5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethanoyl)amino]oxolane-2-carboxylic acid Openeye Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-[(2-hydroxy-2-phenyl-acetyl)amino]tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-benzamido-9-purinyl)-4-hydroxy-3-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]oxolane-2-carboxylic acid Traditional Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(mandeloylamino)tetrahydrofuran-2-carboxylic acid Formula: C25H22N6O7 MolecularWeight: 518.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)O

InChI

InChI=1S/C25H22N6O7/c32-17(13-7-3-1-4-8-13)23(35)29-15-18(33)24(38-19(15)25(36)37)31-12-28-16-20(26-11-27-21(16)31)30-22(34)14-9-5-2-6-10-14/h1-12,15,17-19,24,32-33H,(H,29,35)(H,36,37)(H,26,27,30,34)