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Murcko scaffold

8-Thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione scaffold

30 chemicals on CompoundList share this ring system.

Rings: 2
Scaffold atoms: 12
Chemicals: 30
With full pages: 10

Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(=S)[nH]c2[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 Open the 8-Thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione page

Murcko scaffold O=c1[nH]c(=O)c2[nH]c(=S)[nH]c2[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 30 of 30 chemicals

3,7-Dimethyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C7H8N4O2S, CAS 6703-92-0

3,7-Dimethyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 6703-92-0C₇H₈N₄O₂S

7-Ethyl-3-methyl-8-sulfanyl-1,3,7-trihydropurine-2,6-dione chemical structure, C8H10N4O2S, CAS 126118-56-7

7-Ethyl-3-methyl-8-sulfanyl-1,3,7-trihydropurine-2,6-dione

CAS 126118-56-7C₈H₁₀N₄O₂S

3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione chemical structure, C10H14N4O2S, CAS 126118-59-0

3,7,8,9-Tetrahydro-3-methyl-7-(2-methylpropyl)-8-thioxo-1H-purine-2,6-dione

CAS 126118-59-0C₁₀H₁₄N₄O₂S

8-Mercapto-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C9H10N4O3S, CAS 331839-81-7

8-Mercapto-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione

CAS 331839-81-7C₉H₁₀N₄O₃S

1,3-Dimethyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C10H14N4O2S, CAS 353500-14-8

1,3-Dimethyl-7-propan-2-yl-8-sulfanylidene-9H-purine-2,6-dione

CAS 353500-14-8C₁₀H₁₄N₄O₂S

1,3-Dimethyl-7-prop-2-enyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C10H12N4O2S, CAS 378198-24-4

1,3-Dimethyl-7-prop-2-enyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 378198-24-4C₁₀H₁₂N₄O₂S

7-Isopentyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C11H16N4O2S, CAS 126118-61-4

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

CAS 126118-61-4C₁₁H₁₆N₄O₂S

1,3-Dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C7H8N4O2S, CAS 1784-70-9

1,3-Dimethyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS 1784-70-9C₇H₈N₄O₂S

3-Methyl-7-propyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C9H12N4O2S, CAS 126118-57-8

3-Methyl-7-propyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 126118-57-8C₉H₁₂N₄O₂S

Caffeine, 8-mercapto- chemical structure, C8H10N4O2S, CAS 1790-74-5

Caffeine, 8-mercapto-

CAS 1790-74-5C₈H₁₀N₄O₂S

1,3-Dimethyl-7-propyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C10H14N4O2S, CAS 368847-37-4

1,3-Dimethyl-7-propyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 368847-37-4C₁₀H₁₄N₄O₂S

7-Ethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C9H12N4O2S, CAS 335403-18-4

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

CAS 335403-18-4C₉H₁₂N₄O₂S

7-Isopropyl-3-methyl-8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione chemical structure, C9H12N4O2S, CAS 300717-04-8

7-Isopropyl-3-methyl-8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione

CAS 300717-04-8C₉H₁₂N₄O₂S

7-(2-Ethoxyethyl)-8-mercapto-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C10H14N4O3S, CAS 476481-77-3

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

CAS 476481-77-3C₁₀H₁₄N₄O₃S

8-Mercapto-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione chemical structure, C11H16N4O2S, CAS 126118-60-3

8-Mercapto-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione

CAS 126118-60-3C₁₁H₁₆N₄O₂S

Caffeine, 8-mercapto-, hydrochloride chemical structure, C8H11ClN4O2S, CAS 56223-58-6

Caffeine, 8-mercapto-, hydrochloride

CAS 56223-58-6C₈H₁₁ClN₄O₂S

8-Mercaptoisocaffeine chemical structure, C8H10N4O2S, CAS 2564-54-7

8-Mercaptoisocaffeine

CAS 2564-54-7C₈H₁₀N₄O₂S

3-Methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione chemical structure, C6H6N4O2S, CAS 70404-40-9

3-Methyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione

CAS 70404-40-9C₆H₆N₄O₂S

7-Butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C10H14N4O2S, CAS 126118-58-9

7-Butyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 126118-58-9C₁₀H₁₄N₄O₂S

7-Hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione chemical structure, C12H18N4O2S, CAS 126118-62-5

7-Hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

CAS 126118-62-5C₁₂H₁₈N₄O₂S

7-(2-Methoxyethyl)-3-methyl-8-sulfanyl-1,3,7-trihydropurine-2,6-dione chemical structure, C9H12N4O3S, CAS 333768-89-1

7-(2-Methoxyethyl)-3-methyl-8-sulfanyl-1,3,7-trihydropurine-2,6-dione

CAS 333768-89-1C₉H₁₂N₄O₃S

7-Butyl-1,3-dimethyl-8-sulfanylidene-3,7,8,9-tetrahydro-1H-purine-2,6-dione chemical structure, C11H16N4O2S, CAS 436094-92-7

7-Butyl-1,3-dimethyl-8-sulfanylidene-3,7,8,9-tetrahydro-1H-purine-2,6-dione

CAS 436094-92-7C₁₁H₁₆N₄O₂S

9-Butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione chemical structure, C11H16N4O2S, CAS 7501-78-2

9-Butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione

CAS 7501-78-2C₁₁H₁₆N₄O₂S

1,3-Dimethyl-9-propyl-8-sulfanylidene-7H-purine-2,6-dione chemical structure, C10H14N4O2S, CAS 7465-06-7

1,3-Dimethyl-9-propyl-8-sulfanylidene-7H-purine-2,6-dione

CAS 7465-06-7C₁₀H₁₄N₄O₂S