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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19ClFN5O2 MolecularWeight: 379.816463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClFN5O2/c1-2-12-5-3-4-8-23(12)17-15(24(25)26)16(20-10-21-17)22-11-6-7-14(19)13(18)9-11/h6-7,9-10,12H,2-5,8H2,1H3,(H,20,21,22)