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

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H17ClF3N5O2 MolecularWeight: 499.87229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C24H17ClF3N5O2/c25-19-12-11-17(13-18(19)24(26,27)28)31-22-21(33(34)35)23(30-14-29-22)32-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,(H2,29,30,31,32)