N-(4-bromophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromophenyl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromophenyl)-6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-bromophenyl)-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H20BrN5O2 MolecularWeight: 406.277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN5O2/c1-2-14-5-3-4-10-22(14)17-15(23(24)25)16(19-11-20-17)21-13-8-6-12(18)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,19,20,21)