N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-5-nitro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C18H12F3N5O4 MolecularWeight: 419.31419

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3N5O4/c19-18(20,21)11-3-1-2-4-12(11)25-17-15(26(27)28)16(22-8-23-17)24-10-5-6-13-14(7-10)30-9-29-13/h1-8H,9H2,(H2,22,23,24,25)