[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic 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-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C20H22N8O4 MolecularWeight: 438.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C20H22N8O4/c1-11(19(30)27-18-15-17(24-9-23-15)25-10-26-18)32-20(31)12-4-6-28(7-5-12)14-3-2-13(8-22-14)16(21)29/h2-3,8-12H,4-7H2,1H3,(H2,21,29)(H2,23,24,25,26,27,30)/t11-/m0/s1