N-[3-[[(6-azanylpyrimidin-4-yl)-methyl-carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[[(6-azanylpyrimidin-4-yl)-methyl-carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[[(6-aminopyrimidin-4-yl)-methyl-carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[[[(6-amino-4-pyrimidinyl)-methylamino]-oxomethyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[[(6-aminopyrimidin-4-yl)-methyl-carbamoyl]amino]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C21H19F3N6O2 MolecularWeight: 444.40977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N6O2/c1-12-6-7-15(28-19(31)13-4-3-5-14(8-13)21(22,23)24)9-16(12)29-20(32)30(2)18-10-17(25)26-11-27-18/h3-11H,1-2H3,(H,28,31)(H,29,32)(H2,25,26,27)