[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3)O)C(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC(=CC(=C3O)C(C)C)C(C)C

InChI

InChI=1S/C21H25N5O4/c1-10(2)13-6-14(11(3)4)17(27)15(7-13)21(29)30-12(5)20(28)26-19-16-18(23-8-22-16)24-9-25-19/h6-12,27H,1-5H3,(H2,22,23,24,25,26,28)/t12-/m1/s1