2-(3,5-dimethylphenyl)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(3,5-dimethylphenyl)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(3,5-dimethylphenyl)-3H-purin-6-one CAS Name: 2-(3,5-dimethylphenyl)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(3,5-dimethylphenyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(3,5-dimethylphenyl)-3H-purin-6-one Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)C

InChI

InChI=1S/C20H18N4O/c1-13-8-14(2)10-16(9-13)18-22-19-17(20(25)23-18)24(12-21-19)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23,25)