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Murcko scaffold

3-Benzyl-1H-purine-2,6(3H,7H)-dione scaffold

24 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
24
With full pages
14
Scaffold SMILES

O=c1[nH]c(=O)n(Cc2ccccc2)c2[nH]cnc12

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the 3-Benzyl-1H-purine-2,6(3H,7H)-dione page
Murcko scaffold O=c1[nH]c(=O)n(Cc2ccccc2)c2[nH]cnc12

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 24 of 24 chemicals

3-Benzyl-1,7-dimethylpurine-2,6-dione chemical structure, C14H14N4O2, CAS 7499-88-9
3-Benzyl-1,7-dimethylpurine-2,6-dione
CAS 7499-88-9C14H14N4O2
3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione chemical structure, C18H23N5O2, CAS 7505-71-7
3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
CAS 7505-71-7C18H23N5O2
3-Benzyl-1H-purine-2,6(3H,7H)-dione chemical structure, C12H10N4O2, CAS 19844-93-0
3-Benzyl-1H-purine-2,6(3H,7H)-dione
CAS 19844-93-0C12H10N4O2
RefChem:382149 chemical structure, C13H12N4O2, CAS 64995-73-9
RefChem:382149
CAS 64995-73-9C13H12N4O2
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(phenylmethyl)- chemical structure, C13H12N4O2, CAS 63908-22-5
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(phenylmethyl)-
CAS 63908-22-5C13H12N4O2
3-Benzyl-7-isobutyl-3,7-dihydro-purine-2,6-dione chemical structure, C16H18N4O2, CAS 736977-50-7
3-Benzyl-7-isobutyl-3,7-dihydro-purine-2,6-dione
CAS 736977-50-7C16H18N4O2
3-Benzyl-7-ethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H14N4O2, CAS 139927-85-8
3-Benzyl-7-ethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 139927-85-8C14H14N4O2
2-[3-Benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetohydrazide chemical structure, C18H22N6O3, CAS 730951-37-8
2-[3-Benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetohydrazide
CAS 730951-37-8C18H22N6O3
2-(3-Benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetic acid chemical structure, C16H16N4O4, CAS 730949-84-5
2-(3-Benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetic acid
CAS 730949-84-5C16H16N4O4
2-[3-Benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetohydrazide chemical structure, C17H20N6O4, CAS 730950-17-1
2-[3-Benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetohydrazide
CAS 730950-17-1C17H20N6O4
2-[3-Benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid chemical structure, C17H18N4O5, CAS 730992-63-9
2-[3-Benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
CAS 730992-63-9C17H18N4O5
3-Benzyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C17H20N4O2, CAS 554424-76-9
3-Benzyl-7-(3-methylbutyl)purine-2,6-dione
CAS 554424-76-9C17H20N4O2
2-(3-Benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetohydrazide chemical structure, C16H18N6O3, CAS 730949-89-0
2-(3-Benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetohydrazide
CAS 730949-89-0C16H18N6O3
2-[3-Benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid chemical structure, C18H20N4O4, CAS 730992-40-2
2-[3-Benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
CAS 730992-40-2C18H20N4O4
3-Benzyl-7-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C15H16N4O3, CAS 554423-81-3
3-Benzyl-7-(2-methoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 554423-81-3C15H16N4O3
3-Benzyl-7-ethyl-8-(hydroxymethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H16N4O3, CAS 568567-43-1
3-Benzyl-7-ethyl-8-(hydroxymethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 568567-43-1C15H16N4O3
3-Benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C17H19ClN4O2, CAS 848658-76-4
3-Benzyl-7-butyl-8-(chloromethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 848658-76-4C17H19ClN4O2
3-Benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C18H21ClN4O2, CAS 848658-87-7
3-Benzyl-8-(chloromethyl)-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 848658-87-7C18H21ClN4O2
3-Benzyl-7-butyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C16H18N4O2, CAS 571161-24-5
3-Benzyl-7-butyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 571161-24-5C16H18N4O2
2-[3-Benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide chemical structure, C19H20F3N5O4, CAS 747410-31-7
2-[3-Benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CAS 747410-31-7C19H20F3N5O4
3-Benzyl-9-methylpurine-2,6-dione chemical structure, C13H12N4O2, CAS 823221-49-4
3-Benzyl-9-methylpurine-2,6-dione
CAS 823221-49-4C13H12N4O2
7-(Ethoxymethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione chemical structure, C15H16N4O3, CAS 147951-05-1
7-(Ethoxymethyl)-3,7-dihydro-3-(phenylmethyl)-1H-purine-2,6-dione
CAS 147951-05-1C15H16N4O3
Potassium 3-benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-ide chemical structure, C14H13KN4O2, CAS 1052544-31-6
Potassium 3-benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-ide
CAS 1052544-31-6C14H13KN4O2
Potassium 3-benzyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-ide chemical structure, C17H19KN4O2, CAS 1052541-60-2
Potassium 3-benzyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-ide
CAS 1052541-60-2C17H19KN4O2