1-[3-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H23N5O3 MolecularWeight: 369.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3/c1-3-16-9-4-5-10-23(16)19-17(24(26)27)18(20-12-21-19)22-15-8-6-7-14(11-15)13(2)25/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,21,22)