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

Systemtic Name: 7-[(3,5-ditert-butyl-4-phenylmethoxy-phenyl)methyl]-2-ethyl-3H-purin-6-one Openeye Name: 7-[(4-benzyloxy-3,5-ditert-butyl-phenyl)methyl]-2-ethyl-3H-purin-6-one CAS Name: 7-[(3,5-ditert-butyl-4-phenylmethoxyphenyl)methyl]-2-ethyl-3H-purin-6-one IUPAC Name: 7-[(3,5-ditert-butyl-4-phenylmethoxyphenyl)methyl]-2-ethyl-3H-purin-6-one Traditional Name: 7-(4-benzoxy-3,5-ditert-butyl-benzyl)-2-ethyl-3H-purin-6-one Formula: C29H36N4O2 MolecularWeight: 472.62174

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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)OCC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC(=C(C(=C3)C(C)(C)C)OCC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C29H36N4O2/c1-8-23-31-26-24(27(34)32-23)33(18-30-26)16-20-14-21(28(2,3)4)25(22(15-20)29(5,6)7)35-17-19-12-10-9-11-13-19/h9-15,18H,8,16-17H2,1-7H3,(H,31,32,34)