5-(6-aminopurin-9-yl)-4-oxidanyl-3-(2-phenylethanoylamino)oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-4-oxidanyl-3-(2-phenylethanoylamino)oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[(2-phenylacetyl)amino]tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[(1-oxo-2-phenylethyl)amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[(2-phenylacetyl)amino]oxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-4-hydroxy-3-[(2-phenylacetyl)amino]tetrahydrofuran-2-carboxylic acid Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O5/c19-15-12-16(21-7-20-15)24(8-22-12)17-13(26)11(14(29-17)18(27)28)23-10(25)6-9-4-2-1-3-5-9/h1-5,7-8,11,13-14,17,26H,6H2,(H,23,25)(H,27,28)(H2,19,20,21)