N6-(4-butylphenyl)-N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-[4-chloro-3-(trifluoromethyl)phenyl]amine Formula: C21H19ClF3N5O2 MolecularWeight: 465.85607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClF3N5O2/c1-2-3-4-13-5-7-14(8-6-13)28-19-18(30(31)32)20(27-12-26-19)29-15-9-10-17(22)16(11-15)21(23,24)25/h5-12H,2-4H2,1H3,(H2,26,27,28,29)