[(2R,5R)-5-(6-benzamidopurin-9-yl)-3-ethanoyl-1,3-thiazolidin-2-yl]methyl benzoate

Systemtic Name: [(2R,5R)-5-(6-benzamidopurin-9-yl)-3-ethanoyl-1,3-thiazolidin-2-yl]methyl benzoate Openeye Name: [(2R,5R)-3-acetyl-5-(6-benzamidopurin-9-yl)thiazolidin-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,5R)-3-acetyl-5-(6-benzamido-9-purinyl)-2-thiazolidinyl]methyl ester IUPAC Name: [(2R,5R)-3-acetyl-5-(6-benzamidopurin-9-yl)-1,3-thiazolidin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,5R)-3-acetyl-5-(6-benzamidopurin-9-yl)thiazolidin-2-yl]methyl ester Formula: C25H22N6O4S MolecularWeight: 502.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(SC1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1C[C@@H](S[C@@H]1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O4S/c1-16(32)30-12-19(36-20(30)13-35-25(34)18-10-6-3-7-11-18)31-15-28-21-22(26-14-27-23(21)31)29-24(33)17-8-4-2-5-9-17/h2-11,14-15,19-20H,12-13H2,1H3,(H,26,27,29,33)/t19-,20-/m1/s1