7-[(3,5-dimethylphenyl)methyl]-2-ethyl-3H-purin-6-one

Systemtic Name: 7-[(3,5-dimethylphenyl)methyl]-2-ethyl-3H-purin-6-one Openeye Name: 7-[(3,5-dimethylphenyl)methyl]-2-ethyl-3H-purin-6-one CAS Name: 7-[(3,5-dimethylphenyl)methyl]-2-ethyl-3H-purin-6-one IUPAC Name: 7-[(3,5-dimethylphenyl)methyl]-2-ethyl-3H-purin-6-one Traditional Name: 7-(3,5-dimethylbenzyl)-2-ethyl-3H-purin-6-one Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O/c1-4-13-18-15-14(16(21)19-13)20(9-17-15)8-12-6-10(2)5-11(3)7-12/h5-7,9H,4,8H2,1-3H3,(H,18,19,21)