2-ethyl-1-[4-methyl-6-(phenethylamino)pyrimidin-2-yl]-3-[4-(trifluoromethyl)phenyl]guanidine

Systemtic Name: 2-ethyl-1-[4-methyl-6-(phenethylamino)pyrimidin-2-yl]-3-[4-(trifluoromethyl)phenyl]guanidine Openeye Name: 2-ethyl-1-[4-methyl-6-(phenethylamino)pyrimidin-2-yl]-3-[4-(trifluoromethyl)phenyl]guanidine CAS Name: 2-ethyl-1-[4-methyl-6-(phenethylamino)-2-pyrimidinyl]-3-[4-(trifluoromethyl)phenyl]guanidine IUPAC Name: 2-ethyl-1-[4-methyl-6-(phenethylamino)pyrimidin-2-yl]-3-[4-(trifluoromethyl)phenyl]guanidine Traditional Name: 2-ethyl-1-[4-methyl-6-(phenethylamino)pyrimidin-2-yl]-3-[4-(trifluoromethyl)phenyl]guanidine Formula: C23H25F3N6 MolecularWeight: 442.48001

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC1=CC=C(C=C1)C(F)(F)F)NC2=NC(=CC(=N2)NCCC3=CC=CC=C3)C

Isomeric SMILES

CCN=C(NC1=CC=C(C=C1)C(F)(F)F)NC2=NC(=CC(=N2)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25F3N6/c1-3-27-21(30-19-11-9-18(10-12-19)23(24,25)26)32-22-29-16(2)15-20(31-22)28-14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H3,27,28,29,30,31,32)