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

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-2-phenyl-3H-purin-6-one Openeye Name: 7-[(4-tert-butylphenyl)methyl]-2-phenyl-3H-purin-6-one CAS Name: 7-[(4-tert-butylphenyl)methyl]-2-phenyl-3H-purin-6-one IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-2-phenyl-3H-purin-6-one Traditional Name: 7-(4-tert-butylbenzyl)-2-phenyl-3H-purin-6-one Formula: C22H22N4O MolecularWeight: 358.43628

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O/c1-22(2,3)17-11-9-15(10-12-17)13-26-14-23-20-18(26)21(27)25-19(24-20)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H,24,25,27)