7-[(4-tert-butylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-3H-purin-6-one

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-3H-purin-6-one Openeye Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-3H-purin-6-one CAS Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-3H-purin-6-one IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-3H-purin-6-one Traditional Name: 7-(4-tert-butylbenzyl)-2-[3-(trifluoromethyl)phenyl]-3H-purin-6-one Formula: C23H21F3N4O MolecularWeight: 426.43425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O/c1-22(2,3)16-9-7-14(8-10-16)12-30-13-27-20-18(30)21(31)29-19(28-20)15-5-4-6-17(11-15)23(24,25)26/h4-11,13H,12H2,1-3H3,(H,28,29,31)