2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-[4-pentoxy-3-(trifluoromethyl)phenyl]guanidine Traditional Name: 1-[4-amoxy-3-(trifluoromethyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C19H24F3N5O MolecularWeight: 395.42197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=NC2=NC(=CC(=N2)C)C)N)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)N/C(=N/C2=NC(=CC(=N2)C)C)/N)C(F)(F)F

InChI

InChI=1S/C19H24F3N5O/c1-4-5-6-9-28-16-8-7-14(11-15(16)19(20,21)22)26-17(23)27-18-24-12(2)10-13(3)25-18/h7-8,10-11H,4-6,9H2,1-3H3,(H3,23,24,25,26,27)