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

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (2-chloro-4-fluoro-benzyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C16H17ClFN5O2 MolecularWeight: 365.789883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN5O2/c17-13-8-12(18)5-4-11(13)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)