4-[3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-2-yl]pyrimidin-2-amine

Systemtic Name: 4-[3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-[3-methyl-5-[3-(trifluoromethyl)benzyl]benzothiophen-2-yl]pyrimidin-2-yl]amine Formula: C21H16F3N3S MolecularWeight: 399.43205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC(=CC=C3)C(F)(F)F)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC(=CC=C3)C(F)(F)F)C4=NC(=NC=C4)N

InChI

InChI=1S/C21H16F3N3S/c1-12-16-11-14(9-13-3-2-4-15(10-13)21(22,23)24)5-6-18(16)28-19(12)17-7-8-26-20(25)27-17/h2-8,10-11H,9H2,1H3,(H2,25,26,27)