1-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-[4-methyl-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]guanidine

Systemtic Name: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-[4-methyl-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]guanidine Openeye Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-methyl-6-[2-(1-piperidyl)ethylamino]pyrimidin-2-yl]guanidine CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-methyl-6-[2-(1-piperidinyl)ethylamino]-2-pyrimidinyl]guanidine IUPAC Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-methyl-6-(2-piperidin-1-ylethylamino)pyrimidin-2-yl]guanidine Traditional Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-methyl-6-(2-piperidinoethylamino)pyrimidin-2-yl]guanidine Formula: C20H25BrF3N7 MolecularWeight: 500.35861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)Br)C(F)(F)F)NCCN3CCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC(=C(C=C2)Br)C(F)(F)F)NCCN3CCCCC3

InChI

InChI=1S/C20H25BrF3N7/c1-13-11-17(26-7-10-31-8-3-2-4-9-31)29-19(27-13)30-18(25)28-14-5-6-16(21)15(12-14)20(22,23)24/h5-6,11-12H,2-4,7-10H2,1H3,(H4,25,26,27,28,29,30)