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Murcko scaffold

Ring system with 4 rings and 18 atoms

23 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 18
Chemicals: 23
With full pages: 3

Scaffold SMILES

O=c1[nH]cnc2c1sc1nc3c(cc12)COCC3

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]cnc2c1sc1nc3c(cc12)COCC3

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 23 of 23 chemicals

3,8,8-Trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C15H15N3O2S, CAS 378763-58-7

3,8,8-Trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 378763-58-7C₁₅H₁₅N₃O₂S

8,8-Dimethyl-3-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C17H19N3O2S, CAS 376374-05-9

8,8-Dimethyl-3-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 376374-05-9C₁₇H₁₉N₃O₂S

8,8-Dimethyl-3-(2-methylallyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C18H19N3O2S, CAS 380580-42-7

8,8-Dimethyl-3-(2-methylallyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 380580-42-7C₁₈H₁₉N₃O₂S

2-Allyl-3,8,8-trimethyl-8,9-dihydro-2H,6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-one chemical structure, C18H19N3O2S, CAS 489415-86-3

2-Allyl-3,8,8-trimethyl-8,9-dihydro-2H,6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-one

CAS 489415-86-3C₁₈H₁₉N₃O₂S

3-Allyl-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C17H17N3O2S, CAS 381696-82-8

3-Allyl-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 381696-82-8C₁₇H₁₇N₃O₂S

3-(2-Hydroxyethyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C16H17N3O3S, CAS 845900-41-6

3-(2-Hydroxyethyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 845900-41-6C₁₆H₁₇N₃O₃S

3-Isobutyl-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C19H23N3O2S, CAS 664970-94-9

3-Isobutyl-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 664970-94-9C₁₉H₂₃N₃O₂S

3-Allyl-2-ethyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C19H21N3O2S, CAS 498534-93-3

3-Allyl-2-ethyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 498534-93-3C₁₉H₂₁N₃O₂S

3-Amino-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C17H20N4O2S, CAS 831213-12-8

3-Amino-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 831213-12-8C₁₇H₂₀N₄O₂S

3-Isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C20H25N3O2S, CAS 708993-65-1

3-Isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 708993-65-1C₂₀H₂₅N₃O₂S

3-Butyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C18H21N3O2S, CAS 380904-43-8

3-Butyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 380904-43-8C₁₈H₂₁N₃O₂S

3-Heptyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C22H29N3O2S, CAS 708990-07-2

3-Heptyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 708990-07-2C₂₂H₂₉N₃O₂S

3-(2-(Diethylamino)ethyl)-2-ethyl-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C22H30N4O2S, CAS 497940-51-9

3-(2-(Diethylamino)ethyl)-2-ethyl-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 497940-51-9C₂₂H₃₀N₄O₂S

3-Butyl-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C21H27N3O2S, CAS 831244-96-3

3-Butyl-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 831244-96-3C₂₁H₂₇N₃O₂S

3-(3-Ethoxypropyl)-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C20H25N3O3S, CAS 835896-85-0

3-(3-Ethoxypropyl)-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 835896-85-0C₂₀H₂₅N₃O₃S

2,8,8-Trimethyl-3-pentyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C20H25N3O2S, CAS 488707-67-1

2,8,8-Trimethyl-3-pentyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 488707-67-1C₂₀H₂₅N₃O₂S

3-(2-Methoxyethyl)-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C17H19N3O3S, CAS 846064-25-3

3-(2-Methoxyethyl)-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 846064-25-3C₁₇H₁₉N₃O₃S

3-(2-(2-Hydroxyethoxy)ethyl)-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C19H23N3O4S, CAS 848726-75-0

3-(2-(2-Hydroxyethoxy)ethyl)-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 848726-75-0C₁₉H₂₃N₃O₄S

3-(2-Methoxyethyl)-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C20H25N3O3S, CAS 848748-49-2

3-(2-Methoxyethyl)-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 848748-49-2C₂₀H₂₅N₃O₃S

3-(2-(Diethylamino)ethyl)-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C23H32N4O2S, CAS 848928-64-3

3-(2-(Diethylamino)ethyl)-8,8-dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 848928-64-3C₂₃H₃₂N₄O₂S

2,8,8-Trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C15H15N3O2S, CAS 166545-85-3

2,8,8-Trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 166545-85-3C₁₅H₁₅N₃O₂S

8-Ethyl-8-methyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one chemical structure, C15H15N3O2S, CAS 577996-96-4

8-Ethyl-8-methyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

CAS 577996-96-4C₁₅H₁₅N₃O₂S

8,8-Dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one chemical structure, C17H19N3O2S, CAS 671763-41-0

8,8-Dimethyl-2-propyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one

CAS 671763-41-0C₁₇H₁₉N₃O₂S