butyl (3S,5R)-5-(6-aminopurin-9-yl)-2-(phenylmethyl)-1,2-oxazolidine-3-carboxylate

Systemtic Name: butyl (3S,5R)-5-(6-aminopurin-9-yl)-2-(phenylmethyl)-1,2-oxazolidine-3-carboxylate Openeye Name: butyl (3S,5R)-5-(6-aminopurin-9-yl)-2-benzyl-isoxazolidine-3-carboxylate CAS Name: (3S,5R)-5-(6-aminopurin-9-yl)-2-(phenylmethyl)-3-isoxazolidinecarboxylic acid butyl ester IUPAC Name: butyl (3S,5R)-5-(6-aminopurin-9-yl)-2-benzyl-1,2-oxazolidine-3-carboxylate Traditional Name: (3S,5R)-5-adenin-9-yl-2-benzyl-isoxazolidine-3-carboxylic acid butyl ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC(ON1CC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CCCCOC(=O)[C@@H]1C[C@@H](ON1CC2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C20H24N6O3/c1-2-3-9-28-20(27)15-10-16(29-26(15)11-14-7-5-4-6-8-14)25-13-24-17-18(21)22-12-23-19(17)25/h4-8,12-13,15-16H,2-3,9-11H2,1H3,(H2,21,22,23)/t15-,16+/m0/s1