7-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-ethyl-3H-purin-6-one

Systemtic Name: 7-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-2-ethyl-3H-purin-6-one Openeye Name: 2-ethyl-7-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-3H-purin-6-one CAS Name: 2-ethyl-7-[(4-hydroxy-3,5-dimethylphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-ethyl-7-[(4-hydroxy-3,5-dimethylphenyl)methyl]-3H-purin-6-one Traditional Name: 2-ethyl-7-(4-hydroxy-3,5-dimethyl-benzyl)-3H-purin-6-one Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c1-4-12-18-15-13(16(22)19-12)20(8-17-15)7-11-5-9(2)14(21)10(3)6-11/h5-6,8,21H,4,7H2,1-3H3,(H,18,19,22)