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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H18ClF3N6O2 MolecularWeight: 430.81203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClF3N6O2/c1-2-25-5-7-26(8-6-25)16-14(27(28)29)15(22-10-23-16)24-13-9-11(17(19,20)21)3-4-12(13)18/h3-4,9-10H,2,5-8H2,1H3,(H,22,23,24)