N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-benzyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H18ClFN6O2 MolecularWeight: 380.804523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClFN6O2/c1-22-4-6-23(7-5-22)16-14(24(25)26)15(20-10-21-16)19-9-11-2-3-13(18)12(17)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,19,20,21)