tert-butyl 4-(2-chloranylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C13H19ClN4O2 MolecularWeight: 298.76856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC=C2)Cl

InChI

InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)10-4-5-15-11(14)16-10/h4-5H,6-9H2,1-3H3