[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic 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] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [(1R)-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:

CCCC1=CC(=NN1)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)O[C@H](C)C(=O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H17N7O3/c1-3-4-9-5-10(22-21-9)15(24)25-8(2)14(23)20-13-11-12(17-6-16-11)18-7-19-13/h5-8H,3-4H2,1-2H3,(H,21,22)(H2,16,17,18,19,20,23)/t8-/m1/s1