5-nitro-N4,N4-bis(phenylmethyl)-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amine Formula: C25H20F3N5O3 MolecularWeight: 495.45321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H20F3N5O3/c26-25(27,28)36-21-13-11-20(12-14-21)31-23-22(33(34)35)24(30-17-29-23)32(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H,29,30,31)