N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H17ClF3N7O2 MolecularWeight: 479.84289

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClF3N7O2/c21-15-5-4-13(11-14(15)20(22,23)24)28-18-17(31(32)33)19(27-12-26-18)30-9-7-29(8-10-30)16-3-1-2-6-25-16/h1-6,11-12H,7-10H2,(H,26,27,28)