6-(azepan-1-yl)-N2-(2-fluorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(2-fluorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(2-fluorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(2-fluorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(2-fluorophenyl)amine Formula: C16H19FN6O2 MolecularWeight: 346.359463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3F)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC=CC=C3F)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19FN6O2/c17-11-7-3-4-8-12(11)19-16-20-14(18)13(23(24)25)15(21-16)22-9-5-1-2-6-10-22/h3-4,7-8H,1-2,5-6,9-10H2,(H3,18,19,20,21)