[(2S)-1-(6-benzamidopurin-9-yl)propan-2-yl] benzoate

Systemtic Name: [(2S)-1-(6-benzamidopurin-9-yl)propan-2-yl] benzoate Openeye Name: [(1S)-2-(6-benzamidopurin-9-yl)-1-methyl-ethyl] benzoate CAS Name: benzoic acid [(2S)-1-(6-benzamido-9-purinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(6-benzamidopurin-9-yl)propan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2-(6-benzamidopurin-9-yl)-1-methyl-ethyl] ester Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](CN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O3/c1-15(30-22(29)17-10-6-3-7-11-17)12-27-14-25-18-19(23-13-24-20(18)27)26-21(28)16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,23,24,26,28)/t15-/m0/s1