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

Systemtic Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-methyl-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N4-(phenylmethyl)-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C19H16F3N5O2 MolecularWeight: 403.35785

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O2/c1-26(11-13-6-3-2-4-7-13)18-16(27(28)29)17(23-12-24-18)25-15-9-5-8-14(10-15)19(20,21)22/h2-10,12H,11H2,1H3,(H,23,24,25)