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

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C18H21F3N6O3 MolecularWeight: 426.39295

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H21F3N6O3/c19-18(20,21)13-2-4-14(5-3-13)25-17-15(27(28)29)16(23-12-24-17)22-6-1-7-26-8-10-30-11-9-26/h2-5,12H,1,6-11H2,(H2,22,23,24,25)