3-[(4-methoxy-3-oxidanyl-phenyl)methyl]-8-propan-2-yl-7H-purin-6-one

Systemtic Name: 3-[(4-methoxy-3-oxidanyl-phenyl)methyl]-8-propan-2-yl-7H-purin-6-one Openeye Name: 3-[(3-hydroxy-4-methoxy-phenyl)methyl]-8-isopropyl-7H-purin-6-one CAS Name: 3-[(3-hydroxy-4-methoxyphenyl)methyl]-8-propan-2-yl-7H-purin-6-one IUPAC Name: 3-[(3-hydroxy-4-methoxyphenyl)methyl]-8-propan-2-yl-7H-purin-6-one Traditional Name: 3-(3-hydroxy-4-methoxy-benzyl)-8-isopropyl-7H-purin-6-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=O)N=CN2CC3=CC(=C(C=C3)OC)O

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=O)N=CN2CC3=CC(=C(C=C3)OC)O

InChI

InChI=1S/C16H18N4O3/c1-9(2)14-18-13-15(19-14)20(8-17-16(13)22)7-10-4-5-12(23-3)11(21)6-10/h4-6,8-9,21H,7H2,1-3H3,(H,18,19)