N-[3,4-bis(fluoranyl)phenyl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3,4-difluorophenyl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3,4-difluorophenyl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3,4-difluorophenyl)-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H17F2N5O2 MolecularWeight: 349.335286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F2N5O2/c1-10-3-2-6-22(8-10)16-14(23(24)25)15(19-9-20-16)21-11-4-5-12(17)13(18)7-11/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20,21)