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

Systemtic Name: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-[4-(2-diethylaminoethylamino)-6-methyl-pyrimidin-2-yl]guanidine Openeye Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-(2-diethylaminoethylamino)-6-methyl-pyrimidin-2-yl]guanidine CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-(2-diethylaminoethylamino)-6-methyl-2-pyrimidinyl]guanidine IUPAC Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-(2-diethylaminoethylamino)-6-methylpyrimidin-2-yl]guanidine Traditional Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]-2-[4-(2-diethylaminoethylamino)-6-methyl-pyrimidin-2-yl]guanidine Formula: C19H25BrF3N7 MolecularWeight: 488.34791

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC(=C1)C)N=C(N)NC2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC(=C1)C)N=C(N)NC2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C19H25BrF3N7/c1-4-30(5-2)9-8-25-16-10-12(3)26-18(28-16)29-17(24)27-13-6-7-15(20)14(11-13)19(21,22)23/h6-7,10-11H,4-5,8-9H2,1-3H3,(H4,24,25,26,27,28,29)