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Murcko scaffold

Ring system with 5 rings and 30 atoms

16 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 30
Chemicals: 16
With full pages: 2

Scaffold SMILES

O=c1c2cc(-c3ccccc3)sc2n(Cc2ccccc2)c(=O)n1-c1cccnn1

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=c1c2cc(-c3ccccc3)sc2n(Cc2ccccc2)c(=O)n1-c1cccnn1

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 16 of 16 chemicals

Relugolix chemical structure, C29H27F2N7O5S, CAS 737789-87-6

CAS 737789-87-6C₂₉H₂₇F₂N₇O₅S

1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea chemical structure, C31H31F2N7O6S, CAS 737789-61-6

1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea

CAS 737789-61-6C₃₁H₃₁F₂N₇O₆S

Relugolix impurity 144 chemical structure, C28H25F2N7O5S, CAS 737790-54-4

Relugolix impurity 144

CAS 737790-54-4C₂₈H₂₅F₂N₇O₅S

Relugolix impurity 1 chemical structure, C27H22F2N6O5S, CAS 1589503-96-7

Relugolix impurity 1

CAS 1589503-96-7C₂₇H₂₂F₂N₆O₅S

6-(4-Aminophenyl)-1-((2,6-difluorophenyl)methyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)thieno(2,3-d)pyrimidine-2,4(1H,3H)-dione chemical structure, C27H24F2N6O3S, CAS 1589503-93-4

6-(4-Aminophenyl)-1-((2,6-difluorophenyl)methyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)thieno(2,3-d)pyrimidine-2,4(1H,3H)-dione

CAS 1589503-93-4C₂₇H₂₄F₂N₆O₃S

Relugolix impurity 171 chemical structure, C27H23ClF2N6O5S, CAS 1589503-99-0

Relugolix impurity 171

CAS 1589503-99-0C₂₇H₂₃ClF₂N₆O₅S

1-(2,6-Difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-5-methyl-6-(4-nitrophenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C25H17F2N5O5S, CAS 2410716-32-2

1-(2,6-Difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-5-methyl-6-(4-nitrophenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

CAS 2410716-32-2C₂₅H₁₇F₂N₅O₅S

6-(4-Aminophenyl)-1-(2,6-difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-5-methylthieno[2,3-D]pyrimidine-2,4(1H,3H)-dione chemical structure, C25H19F2N5O3S, CAS 2681381-02-0

6-(4-Aminophenyl)-1-(2,6-difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-5-methylthieno[2,3-D]pyrimidine-2,4(1H,3H)-dione

CAS 2681381-02-0C₂₅H₁₉F₂N₅O₃S

GnRH-R antagonist 1 chemical structure, C31H28F5N7O6S, CAS 2826273-90-7

GnRH-R antagonist 1

CAS 2826273-90-7C₃₁H₂₈F₅N₇O₆S

1-(4-(1-(2,6-Difluorobenzyl)-5-((Dimethylamino)methyl)-3-(6-Methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-Tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)urea chemical structure, C28H25F2N7O4S, CAS 2814571-30-5

1-(4-(1-(2,6-Difluorobenzyl)-5-((Dimethylamino)methyl)-3-(6-Methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-Tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)urea

CAS 2814571-30-5C₂₈H₂₅F₂N₇O₄S

Methyl (4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)carbamate chemical structure, C29H26F2N6O5S, CAS 2814571-37-2

Methyl (4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)carbamate

CAS 2814571-37-2C₂₉H₂₆F₂N₆O₅S

1-(1-(2,6-Difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-6-(4-(3-methoxyureido)phenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)-N,N-dimethylmethanamine oxide chemical structure, C29H27F2N7O6S, CAS 2814571-34-9

1-(1-(2,6-Difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-6-(4-(3-methoxyureido)phenyl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl)-N,N-dimethylmethanamine oxide

CAS 2814571-34-9C₂₉H₂₇F₂N₇O₆S

Ethyl (4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-D]pyrimidin-6-yl)phenyl)carbamate chemical structure, C30H28F2N6O5S, CAS 3009131-56-7

Ethyl (4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-D]pyrimidin-6-yl)phenyl)carbamate

CAS 3009131-56-7C₃₀H₂₈F₂N₆O₅S

Relugolix impurity 5 chemical structure, C31H30F2N8O7S, CAS 1589504-01-7

Relugolix impurity 5

CAS 1589504-01-7C₃₁H₃₀F₂N₈O₇S

1-(4-(1-(2,6-Difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyurea chemical structure, C27H22F2N6O5S, CAS 2681381-03-1

1-(4-(1-(2,6-Difluorobenzyl)-3-(6-methoxypyridazin-3-yl)-5-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyurea

CAS 2681381-03-1C₂₇H₂₂F₂N₆O₅S

N-[4-[5-(Bromomethyl)-1-[(2,6-difluorophenyl)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxyurea chemical structure, C27H21BrF2N6O5S, CAS 2681381-07-5

N-[4-[5-(Bromomethyl)-1-[(2,6-difluorophenyl)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxyurea

CAS 2681381-07-5C₂₇H₂₁BrF₂N₆O₅S