2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-3H-purin-6-one CAS Name: 2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-3H-purin-6-one Traditional Name: 7-benzyl-2-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-3H-purin-6-one Formula: C28H34N4O3 MolecularWeight: 474.59456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCOC)C(C)(C)C)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCOC)C(C)(C)C)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O3/c1-27(2,3)20-13-19(14-21(28(4,5)6)23(20)35-17-34-7)24-30-25-22(26(33)31-24)32(16-29-25)15-18-11-9-8-10-12-18/h8-14,16H,15,17H2,1-7H3,(H,30,31,33)