N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C18H14ClF3N6O2 MolecularWeight: 438.79097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3N6O2/c1-10(11-5-3-2-4-6-11)26-16-14(28(29)30)17(25-9-24-16)27-15-13(19)7-12(8-23-15)18(20,21)22/h2-10H,1H3,(H2,23,24,25,26,27)