N-cyclopropyl-4-methyl-3-[6-[2-(trifluoromethyl)phenyl]purin-9-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-[2-(trifluoromethyl)phenyl]purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-[2-(trifluoromethyl)phenyl]purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-[2-(trifluoromethyl)phenyl]-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-[2-(trifluoromethyl)phenyl]purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-[2-(trifluoromethyl)phenyl]purin-9-yl]benzamide Formula: C23H18F3N5O MolecularWeight: 437.41713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C23H18F3N5O/c1-13-6-7-14(22(32)30-15-8-9-15)10-18(13)31-12-29-20-19(27-11-28-21(20)31)16-4-2-3-5-17(16)23(24,25)26/h2-7,10-12,15H,8-9H2,1H3,(H,30,32)