6-(azepan-1-yl)-N-[2,4-bis(fluoranyl)phenyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-[2,4-bis(fluoranyl)phenyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2,4-difluorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2,4-difluorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2,4-difluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2,4-difluorophenyl)amine Formula: C16H17F2N5O2 MolecularWeight: 349.335286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F2N5O2/c17-11-5-6-13(12(18)9-11)21-15-14(23(24)25)16(20-10-19-15)22-7-3-1-2-4-8-22/h5-6,9-10H,1-4,7-8H2,(H,19,20,21)