2-(azepan-1-yl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-(azepan-1-yl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(azepan-1-yl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(1-azepanyl)-N4-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-(azepan-1-yl)-4-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C16H19FN6O2 MolecularWeight: 346.359463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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