4-methyl-3-[(E)-2-purin-9-ylethenyl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Systemtic Name: 4-methyl-3-[(E)-2-purin-9-ylethenyl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide Openeye Name: 4-methyl-3-[(E)-2-purin-9-ylvinyl]-N-[4-(trifluoromethyl)-2-pyridyl]benzamide CAS Name: 4-methyl-3-[(E)-2-(9-purinyl)ethenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide IUPAC Name: 4-methyl-3-[(E)-2-purin-9-ylethenyl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide Traditional Name: 4-methyl-3-[(E)-2-purin-9-ylvinyl]-N-[4-(trifluoromethyl)-2-pyridyl]benzamide Formula: C21H15F3N6O MolecularWeight: 424.37861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C=CN3C=NC4=CN=CN=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)/C=C/N3C=NC4=CN=CN=C43

InChI

InChI=1S/C21H15F3N6O/c1-13-2-3-15(20(31)29-18-9-16(4-6-26-18)21(22,23)24)8-14(13)5-7-30-12-28-17-10-25-11-27-19(17)30/h2-12H,1H3,(H,26,29,31)/b7-5+