[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C15H17N7O3 MolecularWeight: 343.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)O[C@@H](C)C(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H17N7O3/c1-7-10(8(2)22(4)21-7)15(24)25-9(3)14(23)20-13-11-12(17-5-16-11)18-6-19-13/h5-6,9H,1-4H3,(H2,16,17,18,19,20,23)/t9-/m0/s1