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Murcko scaffold

Ring system with 3 rings and 18 atoms

14 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
14
With full pages
4
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(Sc3ccccc3)nc2[nH]1

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 scaffold
Murcko scaffold O=c1[nH]c(=O)c2[nH]c(Sc3ccccc3)nc2[nH]1

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 14 of 14 chemicals

7-(2-Methoxyethyl)-3-methyl-8-(phenylthio)purine-2,6-dione chemical structure, C15H16N4O3S, CAS 838870-80-7
7-(2-Methoxyethyl)-3-methyl-8-(phenylthio)purine-2,6-dione
CAS 838870-80-7C15H16N4O3S
7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione chemical structure, C16H18N4O3S, CAS 868213-89-2
7-(2-Methoxyethyl)-3-methyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione
CAS 868213-89-2C16H18N4O3S
7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione chemical structure, C15H14N4O2S, CAS 797775-53-2
7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione
CAS 797775-53-2C15H14N4O2S
3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione chemical structure, C16H16N4O2S, CAS 797775-61-2
3-Methyl-8-(4-methylphenylthio)-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione
CAS 797775-61-2C16H16N4O2S
3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione chemical structure, C16H16N4O2S, CAS 672944-74-0
3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione
CAS 672944-74-0C16H16N4O2S
3-Methyl-8-phenylthio-7-propyl-1,3,7-trihydropurine-2,6-dione chemical structure, C15H16N4O2S, CAS 838865-35-3
3-Methyl-8-phenylthio-7-propyl-1,3,7-trihydropurine-2,6-dione
CAS 838865-35-3C15H16N4O2S
3-Methyl-8-(4-methylphenyl)sulfanyl-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C17H18N4O2S, CAS 673455-24-8
3-Methyl-8-(4-methylphenyl)sulfanyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 673455-24-8C17H18N4O2S
8-(2,4-Dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione chemical structure, C13H10N6O6S, CAS 403830-63-7
8-(2,4-Dinitrophenyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
CAS 403830-63-7C13H10N6O6S
3-Methyl-7-pentyl-8-phenylsulfanylpurine-2,6-dione chemical structure, C17H20N4O2S, CAS 867041-01-8
3-Methyl-7-pentyl-8-phenylsulfanylpurine-2,6-dione
CAS 867041-01-8C17H20N4O2S
3-Methyl-8-(4-methylphenyl)sulfanyl-7-pentylpurine-2,6-dione chemical structure, C18H22N4O2S, CAS 867041-02-9
3-Methyl-8-(4-methylphenyl)sulfanyl-7-pentylpurine-2,6-dione
CAS 867041-02-9C18H22N4O2S
3-Methyl-8-(4-methylphenyl)sulfanyl-7-propylpurine-2,6-dione chemical structure, C16H18N4O2S, CAS 867041-04-1
3-Methyl-8-(4-methylphenyl)sulfanyl-7-propylpurine-2,6-dione
CAS 867041-04-1C16H18N4O2S
3-Methyl-7-octyl-8-(p-tolylthio)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H28N4O2S, CAS 868213-90-5
3-Methyl-7-octyl-8-(p-tolylthio)-1H-purine-2,6(3H,7H)-dione
CAS 868213-90-5C21H28N4O2S
3-Methyl-7-nonyl-8-phenylsulfanylpurine-2,6-dione chemical structure, C21H28N4O2S, CAS 920465-22-1
3-Methyl-7-nonyl-8-phenylsulfanylpurine-2,6-dione
CAS 920465-22-1C21H28N4O2S
3-Methyl-8-[(4-methylphenyl)sulfanyl]-7-nonyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C22H30N4O2S, CAS 921081-64-3
3-Methyl-8-[(4-methylphenyl)sulfanyl]-7-nonyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 921081-64-3C22H30N4O2S