N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (5-bromo-2-fluoro-benzyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C16H17BrFN5O2 MolecularWeight: 410.240883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrFN5O2/c17-12-4-5-13(18)11(8-12)9-19-15-14(23(24)25)16(21-10-20-15)22-6-2-1-3-7-22/h4-5,8,10H,1-3,6-7,9H2,(H,19,20,21)