N-[[3,4-bis(fluoranyl)phenyl]methyl]-N-(5-nitropyridin-2-yl)pyrimidin-5-amine

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-N-(5-nitropyridin-2-yl)pyrimidin-5-amine Openeye Name: N-[(3,4-difluorophenyl)methyl]-N-(5-nitro-2-pyridyl)pyrimidin-5-amine CAS Name: N-[(3,4-difluorophenyl)methyl]-N-(5-nitro-2-pyridinyl)-5-pyrimidinamine IUPAC Name: N-[(3,4-difluorophenyl)methyl]-N-(5-nitropyridin-2-yl)pyrimidin-5-amine Traditional Name: (3,4-difluorobenzyl)-(5-nitro-2-pyridyl)-(5-pyrimidyl)amine Formula: C16H11F2N5O2 MolecularWeight: 343.287646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN(C2=NC=C(C=C2)[N+](=O)[O-])C3=CN=CN=C3)F)F

Isomeric SMILES

C1=CC(=C(C=C1CN(C2=NC=C(C=C2)[N+](=O)[O-])C3=CN=CN=C3)F)F

InChI

InChI=1S/C16H11F2N5O2/c17-14-3-1-11(5-15(14)18)9-22(13-6-19-10-20-7-13)16-4-2-12(8-21-16)23(24)25/h1-8,10H,9H2