N6-(4-butylphenyl)-N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine Formula: C20H18ClF3N6O2 MolecularWeight: 466.84413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClF3N6O2/c1-2-3-4-12-5-7-14(8-6-12)28-18-16(30(31)32)19(27-11-26-18)29-17-15(21)9-13(10-25-17)20(22,23)24/h5-11H,2-4H2,1H3,(H2,25,26,27,28,29)