2-(4-ethoxy-3,5-dimethyl-phenyl)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(4-ethoxy-3,5-dimethyl-phenyl)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(4-ethoxy-3,5-dimethyl-phenyl)-3H-purin-6-one CAS Name: 2-(4-ethoxy-3,5-dimethylphenyl)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(4-ethoxy-3,5-dimethylphenyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(4-ethoxy-3,5-dimethyl-phenyl)-3H-purin-6-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2/c1-4-28-19-14(2)10-17(11-15(19)3)20-24-21-18(22(27)25-20)26(13-23-21)12-16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3,(H,24,25,27)