N-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H17ClFN5O2 MolecularWeight: 365.789883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClFN5O2/c1-10-4-2-3-7-22(10)16-14(23(24)25)15(19-9-20-16)21-11-5-6-13(18)12(17)8-11/h5-6,8-10H,2-4,7H2,1H3,(H,19,20,21)