N4-cyclopropyl-5-nitro-N2-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-5-nitro-N2-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-5-nitro-N2-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-5-nitro-N2-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-5-nitro-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-2,4-diamine Traditional Name: cyclopropyl-[5-nitro-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]amine Formula: C16H16F3N5O2 MolecularWeight: 367.32575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H16F3N5O2/c17-16(18,19)11-3-1-10(2-4-11)7-8-20-15-21-9-13(24(25)26)14(23-15)22-12-5-6-12/h1-4,9,12H,5-8H2,(H2,20,21,22,23)