1-[[3-[1-(2-azanylpyrimidin-4-yl)piperidin-4-yl]-4-ethyl-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-[1-(2-azanylpyrimidin-4-yl)piperidin-4-yl]-4-ethyl-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[3-[1-(2-aminopyrimidin-4-yl)-4-piperidyl]-4-ethyl-2-oxo-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-[1-(2-amino-4-pyrimidinyl)-4-piperidinyl]-4-ethyl-2-oxo-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-4-ethyl-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[3-[1-(2-aminopyrimidin-4-yl)-4-piperidyl]-4-ethyl-2-keto-oxazolidin-5-yl]methyl]isonipecotic acid Formula: C21H32N6O4 MolecularWeight: 432.51658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(OC(=O)N1C2CCN(CC2)C3=NC(=NC=C3)N)CN4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1C(OC(=O)N1C2CCN(CC2)C3=NC(=NC=C3)N)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H32N6O4/c1-2-16-17(13-25-9-4-14(5-10-25)19(28)29)31-21(30)27(16)15-6-11-26(12-7-15)18-3-8-23-20(22)24-18/h3,8,14-17H,2,4-7,9-13H2,1H3,(H,28,29)(H2,22,23,24)