6-(dimethylamino)-7-methyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-8-one

Systemtic Name: 6-(dimethylamino)-7-methyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-8-one Openeye Name: 6-(dimethylamino)-7-methyl-9-(p-tolylmethyl)-2-(trifluoromethyl)purin-8-one CAS Name: 6-(dimethylamino)-7-methyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-8-purinone IUPAC Name: 6-(dimethylamino)-7-methyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-8-one Traditional Name: 6-(dimethylamino)-7-methyl-9-(4-methylbenzyl)-2-(trifluoromethyl)purin-8-one Formula: C17H18F3N5O MolecularWeight: 365.35293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N(C2=O)C

InChI

InChI=1S/C17H18F3N5O/c1-10-5-7-11(8-6-10)9-25-14-12(24(4)16(25)26)13(23(2)3)21-15(22-14)17(18,19)20/h5-8H,9H2,1-4H3