(phenylmethyl) (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxidanylidene-1,3-oxazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxidanylidene-1,3-oxazolidine-3-carboxylate Openeye Name: benzyl (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxo-oxazolidine-3-carboxylate CAS Name: (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxo-3-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S)-4-[4-(6-aminopurin-9-yl)butyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylate Traditional Name: (2S,4S)-4-(4-adenin-9-ylbutyl)-2-tert-butyl-5-keto-oxazolidine-3-carboxylic acid benzyl ester Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C(C(=O)O1)CCCCN2C=NC3=C2N=CN=C3N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)[C@H]1N([C@H](C(=O)O1)CCCCN2C=NC3=C2N=CN=C3N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H30N6O4/c1-24(2,3)22-30(23(32)33-13-16-9-5-4-6-10-16)17(21(31)34-22)11-7-8-12-29-15-28-18-19(25)26-14-27-20(18)29/h4-6,9-10,14-15,17,22H,7-8,11-13H2,1-3H3,(H2,25,26,27)/t17-,22-/m0/s1