7-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-ethyl-3H-purin-6-one

Systemtic Name: 7-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-ethyl-3H-purin-6-one Openeye Name: 7-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-ethyl-3H-purin-6-one CAS Name: 7-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-ethyl-3H-purin-6-one IUPAC Name: 7-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-ethyl-3H-purin-6-one Traditional Name: 7-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-ethyl-3H-purin-6-one Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C22H30N4O2/c1-8-16-24-19-17(20(28)25-16)26(12-23-19)11-13-9-14(21(2,3)4)18(27)15(10-13)22(5,6)7/h9-10,12,27H,8,11H2,1-7H3,(H,24,25,28)