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Murcko scaffold

Ring system with 3 rings and 20 atoms

5 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
5
With full pages
3
Scaffold SMILES

O=c1[nH]c(=O)c2c(SCc3cccnc3)ncnc2[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
Murcko scaffold O=c1[nH]c(=O)c2c(SCc3cccnc3)ncnc2[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 5 of 5 chemicals

1,3-Dimethyl-7-neopentyl-5-((pyridin-3-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C19H23N5O2S, CAS 863002-88-4
1,3-Dimethyl-7-neopentyl-5-((pyridin-3-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 863002-88-4C19H23N5O2S
1,3-Dimethyl-7-propyl-5-((pyridin-3-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C17H19N5O2S, CAS 863002-52-2
1,3-Dimethyl-7-propyl-5-((pyridin-3-ylmethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS 863002-52-2C17H19N5O2S
1,3,7-Trimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione chemical structure, C15H15N5O2S, CAS 852168-84-4
1,3,7-Trimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CAS 852168-84-4C15H15N5O2S
1,3-Dimethyl-7-(2-methylpropyl)-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione chemical structure, C18H21N5O2S, CAS 872596-48-0
1,3-Dimethyl-7-(2-methylpropyl)-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CAS 872596-48-0C18H21N5O2S
7-Butyl-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione chemical structure, C18H21N5O2S, CAS 872612-36-7
7-Butyl-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CAS 872612-36-7C18H21N5O2S