ethyl 4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(pyrimidin-2-ylamino)acetyl]piperazine-1-carboxylate CAS Name: 4-[1,2-dioxo-2-(2-pyrimidinylamino)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(pyrimidin-2-ylamino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-(2-pyrimidylamino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=O)NC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(=O)NC2=NC=CC=N2

InChI

InChI=1S/C13H17N5O4/c1-2-22-13(21)18-8-6-17(7-9-18)11(20)10(19)16-12-14-4-3-5-15-12/h3-5H,2,6-9H2,1H3,(H,14,15,16,19)