2-(3,5-ditert-butylphenyl)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(3,5-ditert-butylphenyl)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(3,5-ditert-butylphenyl)-3H-purin-6-one CAS Name: 2-(3,5-ditert-butylphenyl)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(3,5-ditert-butylphenyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(3,5-ditert-butylphenyl)-3H-purin-6-one Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C26H30N4O/c1-25(2,3)19-12-18(13-20(14-19)26(4,5)6)22-28-23-21(24(31)29-22)30(16-27-23)15-17-10-8-7-9-11-17/h7-14,16H,15H2,1-6H3,(H,28,29,31)