2-(4-phenylmethoxyphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one

Systemtic Name: 2-(4-phenylmethoxyphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 2-(4-benzyloxyphenyl)-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one CAS Name: 2-(4-phenylmethoxyphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-(4-phenylmethoxyphenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 2-(4-benzoxyphenyl)-9-(1-methyl-4-phenyl-butyl)-3H-purin-6-one Formula: C29H28N4O2 MolecularWeight: 464.55822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2/c1-21(9-8-14-22-10-4-2-5-11-22)33-20-30-26-28(33)31-27(32-29(26)34)24-15-17-25(18-16-24)35-19-23-12-6-3-7-13-23/h2-7,10-13,15-18,20-21H,8-9,14,19H2,1H3,(H,31,32,34)