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

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-2-(2-fluorophenyl)-3H-purin-6-one Openeye Name: 7-[(4-tert-butylphenyl)methyl]-2-(2-fluorophenyl)-3H-purin-6-one CAS Name: 7-[(4-tert-butylphenyl)methyl]-2-(2-fluorophenyl)-3H-purin-6-one IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-2-(2-fluorophenyl)-3H-purin-6-one Traditional Name: 7-(4-tert-butylbenzyl)-2-(2-fluorophenyl)-3H-purin-6-one Formula: C22H21FN4O MolecularWeight: 376.426743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4O/c1-22(2,3)15-10-8-14(9-11-15)12-27-13-24-20-18(27)21(28)26-19(25-20)16-6-4-5-7-17(16)23/h4-11,13H,12H2,1-3H3,(H,25,26,28)