6-(4-ethylpiperazin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazinyl)-5-nitro-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C17H19F3N6O2 MolecularWeight: 396.36697

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19F3N6O2/c1-2-24-6-8-25(9-7-24)16-14(26(27)28)15(21-11-22-16)23-13-5-3-4-12(10-13)17(18,19)20/h3-5,10-11H,2,6-9H2,1H3,(H,21,22,23)