4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazine-1-carboxylic acid Openeye Name: 4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazine-1-carboxylic acid CAS Name: 2,6-dimethyl-4-[2-[1-(1-oxobutoxy)ethyl]-4-pyrimidinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2,6-dimethylpiperazine-1-carboxylic acid Traditional Name: 4-[2-(1-butyryloxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazine-1-carboxylic acid Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CC(N(C(C2)C)C(=O)O)C

Isomeric SMILES

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CC(N(C(C2)C)C(=O)O)C

InChI

InChI=1S/C17H26N4O4/c1-5-6-15(22)25-13(4)16-18-8-7-14(19-16)20-9-11(2)21(17(23)24)12(3)10-20/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,24)