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

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,6-dimethylquinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2,6-dimethylquinoline-3-carboxylate CAS Name: 2,6-dimethyl-3-quinolinecarboxylic 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] 2,6-dimethylquinoline-3-carboxylate Traditional Name: 2,6-dimethylquinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)O[C@@H](C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H18N6O3/c1-10-4-5-15-13(6-10)7-14(11(2)25-15)20(28)29-12(3)19(27)26-18-16-17(22-8-21-16)23-9-24-18/h4-9,12H,1-3H3,(H2,21,22,23,24,26,27)/t12-/m0/s1