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

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H16ClF3N6O2 MolecularWeight: 500.86035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C23H16ClF3N6O2/c24-18-10-9-16(12-17(18)23(25,26)27)31-21-20(33(34)35)22(30-14-29-21)32(19-8-4-5-11-28-19)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,29,30,31)