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

Systemtic Name: N6-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H15ClF3N7O2 MolecularWeight: 501.84841

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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=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C22H15ClF3N7O2/c23-16-10-15(22(24,25)26)11-28-19(16)31-20-18(33(34)35)21(30-13-29-20)32(17-8-4-5-9-27-17)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,28,29,30,31)