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

Systemtic Name: 6-(dimethylamino)-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-7H-purin-8-one Openeye Name: 6-(dimethylamino)-9-(p-tolylmethyl)-2-(trifluoromethyl)-7H-purin-8-one CAS Name: 6-(dimethylamino)-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-7H-purin-8-one IUPAC Name: 6-(dimethylamino)-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-7H-purin-8-one Traditional Name: 6-(dimethylamino)-9-(4-methylbenzyl)-2-(trifluoromethyl)-7H-purin-8-one Formula: C16H16F3N5O MolecularWeight: 351.32635

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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)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)NC2=O

InChI

InChI=1S/C16H16F3N5O/c1-9-4-6-10(7-5-9)8-24-13-11(20-15(24)25)12(23(2)3)21-14(22-13)16(17,18)19/h4-7H,8H2,1-3H3,(H,20,25)