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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

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