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Murcko scaffold

Ring system with 3 rings and 19 atoms

13 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 19
Chemicals: 13
With full pages: 3

Scaffold SMILES

O=c1[nH]c(=O)c2c([nH]1)[nH]c(=S)n2Cc1ccccc1

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)c2c([nH]1)[nH]c(=S)n2Cc1ccccc1

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 13 of 13 chemicals

7-(4-Fluorobenzyl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H13FN4O2S, CAS 333752-43-5

7-(4-Fluorobenzyl)-8-mercapto-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 333752-43-5C₁₄H₁₃FN₄O₂S

3-Methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H14N4O2S, CAS 332033-62-2

3-Methyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione

CAS 332033-62-2C₁₄H₁₄N₄O₂S

7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C14H13ClN4O2S, CAS 1807-81-4

7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 1807-81-4C₁₄H₁₃ClN₄O₂S

7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C14H13ClN4O2S, CAS 425656-90-2

7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 425656-90-2C₁₄H₁₃ClN₄O₂S

8-Mercapto-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H16N4O2S, CAS 332103-37-4

8-Mercapto-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione

CAS 332103-37-4C₁₅H₁₆N₄O₂S

7-[(4-Chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C13H11ClN4O2S, CAS 331751-89-4

7-[(4-Chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 331751-89-4C₁₃H₁₁ClN₄O₂S

7-(4-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C14H13ClN4O2S, CAS 1604-81-5

7-(4-Chloro-benzyl)-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

CAS 1604-81-5C₁₄H₁₃ClN₄O₂S

7-Benzyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C14H14N4O2S, CAS 966-22-3

7-Benzyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

CAS 966-22-3C₁₄H₁₄N₄O₂S

8-Mercapto-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H16N4O2S, CAS 378208-58-3

8-Mercapto-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione

CAS 378208-58-3C₁₅H₁₆N₄O₂S

7-Benzyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H12N4O2S, CAS 126118-64-7

7-Benzyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione

CAS 126118-64-7C₁₃H₁₂N₄O₂S

1,3-Dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione chemical structure, C15H13F3N4O2S, CAS 354121-70-3

1,3-Dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione

CAS 354121-70-3C₁₅H₁₃F₃N₄O₂S

7-[(2-Chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C14H12ClFN4O2S, CAS 662156-25-4

7-[(2-Chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 662156-25-4C₁₄H₁₂ClFN₄O₂S

7-(3-Bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C13H11BrN4O2S, CAS 324539-36-8

7-(3-Bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione

CAS 324539-36-8C₁₃H₁₁BrN₄O₂S