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

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C19H15ClF3N5O2 MolecularWeight: 437.80291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H15ClF3N5O2/c1-11(12-5-3-2-4-6-12)26-17-16(28(29)30)18(25-10-24-17)27-13-7-8-15(20)14(9-13)19(21,22)23/h2-11H,1H3,(H2,24,25,26,27)