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Murcko scaffold

Ring system with 2 rings and 22 atoms

17 chemicals on CompoundList share this ring system.

Rings: 2
Scaffold atoms: 22
Chemicals: 17
With full pages: 3

Scaffold SMILES

C(=CSSC=CNCc1cncnc1)NCc1cncnc1

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 C(=CSSC=CNCc1cncnc1)NCc1cncnc1

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 17 of 17 chemicals

Thiamine disulfide hydrate chemical structure, C24H34N8O4S2, CAS 1899166-52-9

Thiamine disulfide hydrate

CAS 1899166-52-9C₂₄H₃₄N₈O₄S₂

Sulbutiamine chemical structure, C32H46N8O6S2, CAS 3286-46-2

CAS 3286-46-2C₃₂H₄₆N₈O₆S₂

[(Z)-4-[(4-Amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-butanoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] butanoate chemical structure, C32H46N8O6S2

[(Z)-4-[(4-Amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-butanoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] butanoate

C₃₂H₄₆N₈O₆S₂

Thiamine disulfide hydrochloride chemical structure, C24H35ClN8O4S2, CAS 18642-10-9

Thiamine disulfide hydrochloride

CAS 18642-10-9C₂₄H₃₅ClN₈O₄S₂

Thiamine disulfide chemical structure, C24H34N8O4S2, CAS 67-16-3

Thiamine disulfide

CAS 67-16-3C₂₄H₃₄N₈O₄S₂

Formamide, N,N'-(dithiobis(1-methyl-2-(2-(methylsulfinyl)ethyl)-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)- chemical structure, C26H38N8O4S4, CAS 49575-13-5

Formamide, N,N'-(dithiobis(1-methyl-2-(2-(methylsulfinyl)ethyl)-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-

CAS 49575-13-5C₂₆H₃₈N₈O₄S₄

RefChem:1085515 chemical structure, C31H42N12O6S2, CAS 36410-91-0

RefChem:1085515

CAS 36410-91-0C₃₁H₄₂N₁₂O₆S₂

N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide, 2,4-dioxo-1H-pyrimidine-6-carboxylic acid chemical structure, C29H38N10O8S2, CAS 61227-05-2

N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide, 2,4-dioxo-1H-pyrimidine-6-carboxylic acid

CAS 61227-05-2C₂₉H₃₈N₁₀O₈S₂

Thiooratin chemical structure, C29H38N10O8S2, CAS 59785-18-1

CAS 59785-18-1C₂₉H₃₈N₁₀O₈S₂

Thiamine disulfide phosphate chemical structure, C24H36N8O10P2S2, CAS 992-46-1

Thiamine disulfide phosphate

CAS 992-46-1C₂₄H₃₆N₈O₁₀P₂S₂

N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[(2E)-3-{[(2E)-2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-5-hydroxypent-2-en-3-yl]disulfanyl}-5-hydroxypent-2-en-2-yl]formamide, bis(nitric acid) chemical structure, C24H36N10O10S2, CAS 109125-52-2

N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[(2E)-3-{[(2E)-2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-5-hydroxypent-2-en-3-yl]disulfanyl}-5-hydroxypent-2-en-2-yl]formamide, bis(nitric acid)

CAS 109125-52-2C₂₄H₃₆N₁₀O₁₀S₂

Disulfanediylbis[(2E)-2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}pent-2-ene-3,5-diyl] dibutanoate chemical structure, C32H46N8O6S2, CAS 3286-45-1

Disulfanediylbis[(2E)-2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}pent-2-ene-3,5-diyl] dibutanoate

CAS 3286-45-1C₃₂H₄₆N₈O₆S₂

Disulfanediylbis(4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-ene-3,1-diyl) dibutyrate chemical structure, C32H46N8O6S2

Disulfanediylbis(4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-ene-3,1-diyl) dibutyrate

C₃₂H₄₆N₈O₆S₂

Thiamine disulfide (dinitrate) chemical structure, C24H36N10O10S2

Thiamine disulfide (dinitrate)

C₂₄H₃₆N₁₀O₁₀S₂

Thiamine disulfide nitrate chemical structure, C24H36N10O10S2, CAS 112141-12-5

Thiamine disulfide nitrate

CAS 112141-12-5C₂₄H₃₆N₁₀O₁₀S₂

Bisbutytiamine chemical structure, C32H46N8O6S2, CAS 18481-23-7

CAS 18481-23-7C₃₂H₄₆N₈O₆S₂

Carbonic acid, dilithium salt, mixt. with dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] bis(2-methylpropanoate) chemical structure, C33H48Li2N8O9S2, CAS 867020-81-3

Carbonic acid, dilithium salt, mixt. with dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] bis(2-methylpropanoate)

CAS 867020-81-3C₃₃H₄₈Li₂N₈O₉S₂