6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C28H25F3N6O2 MolecularWeight: 534.53231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25F3N6O2/c29-28(30,31)22-11-13-23(14-12-22)34-26-25(37(38)39)27(33-19-32-26)36-17-15-35(16-18-36)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2,(H,32,33,34)