N-[3-[(2-azanylpyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-2-methyl-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[(2-azanylpyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-2-methyl-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[(2-aminopyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-2-methyl-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[(2-amino-5-pyrimidinyl)amino]-oxomethyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[(2-aminopyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[(2-aminopyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-2-methyl-3-(trifluoromethyl)benzamide Formula: C21H18F3N5O2 MolecularWeight: 429.39513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)C(F)(F)F)C)C(=O)NC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)C(F)(F)F)C)C(=O)NC3=CN=C(N=C3)N

InChI

InChI=1S/C21H18F3N5O2/c1-11-6-7-13(8-16(11)19(31)29-14-9-26-20(25)27-10-14)28-18(30)15-4-3-5-17(12(15)2)21(22,23)24/h3-10H,1-2H3,(H,28,30)(H,29,31)(H2,25,26,27)