ethyl 4-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C15H24N6O4 MolecularWeight: 352.38886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C15H24N6O4/c1-4-11(3)18-13-12(21(23)24)14(17-10-16-13)19-6-8-20(9-7-19)15(22)25-5-2/h10-11H,4-9H2,1-3H3,(H,16,17,18)