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

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-2-(3-chlorophenyl)-3H-purin-6-one Openeye Name: 7-[(4-tert-butylphenyl)methyl]-2-(3-chlorophenyl)-3H-purin-6-one CAS Name: 7-[(4-tert-butylphenyl)methyl]-2-(3-chlorophenyl)-3H-purin-6-one IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-2-(3-chlorophenyl)-3H-purin-6-one Traditional Name: 7-(4-tert-butylbenzyl)-2-(3-chlorophenyl)-3H-purin-6-one Formula: C22H21ClN4O MolecularWeight: 392.88134

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O/c1-22(2,3)16-9-7-14(8-10-16)12-27-13-24-20-18(27)21(28)26-19(25-20)15-5-4-6-17(23)11-15/h4-11,13H,12H2,1-3H3,(H,25,26,28)