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

Systemtic Name: 5-(6-aminopurin-9-yl)-4-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethanoyl)amino]oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[(2-hydroxy-2-phenyl-acetyl)amino]tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]oxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-4-hydroxy-3-(mandeloylamino)tetrahydrofuran-2-carboxylic acid Formula: C18H18N6O6 MolecularWeight: 414.37212

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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=C4N)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C18H18N6O6/c19-14-10-15(21-6-20-14)24(7-22-10)17-12(26)9(13(30-17)18(28)29)23-16(27)11(25)8-4-2-1-3-5-8/h1-7,9,11-13,17,25-26H,(H,23,27)(H,28,29)(H2,19,20,21)