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Murcko scaffold

Ring system with 3 rings and 21 atoms

44 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 21
Chemicals: 44
With full pages: 7

Scaffold SMILES

O=C(CSc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)c1ccccc1

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=C(CSc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)c1ccccc1

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 44 of 44 chemicals

7-Ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H16N4O3S, CAS 189149-72-2

7-Ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione

CAS 189149-72-2C₁₆H₁₆N₄O₃S

7-Isopentyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H22N4O3S, CAS 313530-89-1

7-Isopentyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione

CAS 313530-89-1C₁₉H₂₂N₄O₃S

8-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione chemical structure, C15H13FN4O3S, CAS 302552-35-8

8-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione

CAS 302552-35-8C₁₅H₁₃FN₄O₃S

1,3-Dimethyl-8-((2-oxo-2-(p-tolyl)ethyl)thio)-3,9-dihydro-1H-purine-2,6-dione chemical structure, C16H16N4O3S, CAS 380170-62-7

1,3-Dimethyl-8-((2-oxo-2-(p-tolyl)ethyl)thio)-3,9-dihydro-1H-purine-2,6-dione

CAS 380170-62-7C₁₆H₁₆N₄O₃S

1,3-Dimethyl-7-(2-methylprop-2-en-1-yl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C19H20N4O3S, CAS 373376-50-2

1,3-Dimethyl-7-(2-methylprop-2-en-1-yl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS 373376-50-2C₁₉H₂₀N₄O₃S

8-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H16N4O4S, CAS 325996-24-5

8-((2-(4-Methoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 325996-24-5C₁₆H₁₆N₄O₄S

1,3-Dimethyl-8-phenacylsulfanyl-7-prop-2-enylpurine-2,6-dione chemical structure, C18H18N4O3S, CAS 377062-63-0

1,3-Dimethyl-8-phenacylsulfanyl-7-prop-2-enylpurine-2,6-dione

CAS 377062-63-0C₁₈H₁₈N₄O₃S

3-Methyl-7-(2-methylprop-2-enyl)-8-phenacylsulfanylpurine-2,6-dione chemical structure, C18H18N4O3S, CAS 332098-74-5

3-Methyl-7-(2-methylprop-2-enyl)-8-phenacylsulfanylpurine-2,6-dione

CAS 332098-74-5C₁₈H₁₈N₄O₃S

8-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H13ClN4O3S, CAS 299421-61-7

8-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 299421-61-7C₁₅H₁₃ClN₄O₃S

8-((2-(4-Butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H22N4O4S, CAS 302552-38-1

8-((2-(4-Butoxyphenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 302552-38-1C₁₉H₂₂N₄O₄S

8-[2-(4-tert-Butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione chemical structure, C19H22N4O3S, CAS 326009-59-0

8-[2-(4-tert-Butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione

CAS 326009-59-0C₁₉H₂₂N₄O₃S

3-Methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H22N4O3S, CAS 313665-33-7

3-Methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione

CAS 313665-33-7C₁₉H₂₂N₄O₃S

7-Decyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C24H32N4O3S, CAS 316359-88-3

7-Decyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 316359-88-3C₂₄H₃₂N₄O₃S

3-Methyl-7-octyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H28N4O3S, CAS 301354-16-5

3-Methyl-7-octyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 301354-16-5C₂₂H₂₈N₄O₃S

3-Methyl-7-nonyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H30N4O3S, CAS 331672-05-0

3-Methyl-7-nonyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 331672-05-0C₂₃H₃₀N₄O₃S

8-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-7-heptyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H25ClN4O3S, CAS 326919-34-0

8-((2-(4-Chlorophenyl)-2-oxoethyl)thio)-7-heptyl-3-methyl-1H-purine-2,6(3H,7H)-dione

CAS 326919-34-0C₂₁H₂₅ClN₄O₃S

7-Hexadecyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C30H44N4O3S, CAS 368889-53-6

7-Hexadecyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 368889-53-6C₃₀H₄₄N₄O₃S

7-Isopropyl-3-methyl-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H17N5O5S, CAS 313470-79-0

7-Isopropyl-3-methyl-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-1H-purine-2,6(3H,7H)-dione

CAS 313470-79-0C₁₇H₁₇N₅O₅S

7-Dodecyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C26H36N4O3S, CAS 329705-91-1

7-Dodecyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 329705-91-1C₂₆H₃₆N₄O₃S

7-Ethyl-3-methyl-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H15N5O5S, CAS 303971-14-4

7-Ethyl-3-methyl-8-((2-(4-nitrophenyl)-2-oxoethyl)thio)-1H-purine-2,6(3H,7H)-dione

CAS 303971-14-4C₁₆H₁₅N₅O₅S

7-Heptyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H26N4O3S, CAS 303969-16-6

7-Heptyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 303969-16-6C₂₁H₂₆N₄O₃S

7-Hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H24N4O3S, CAS 303972-87-4

7-Hexyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione

CAS 303972-87-4C₂₀H₂₄N₄O₃S

7-Butyl-8-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H19ClN4O3S, CAS 303968-99-2

7-Butyl-8-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione

CAS 303968-99-2C₁₈H₁₉ClN₄O₃S

7-(2-Methoxyethyl)-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H18N4O4S, CAS 313470-54-1

7-(2-Methoxyethyl)-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione

CAS 313470-54-1C₁₇H₁₈N₄O₄S