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Murcko scaffold

Ring system with 4 rings and 21 atoms

106 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
106
With full pages
2
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc3n2CC(c2ccccc2)=NN3)[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(nc3n2CC(c2ccccc2)=NN3)[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 48 of 106 chemicals

7,9-Dimethyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C15H14N6O2, CAS 52598-30-8
7,9-Dimethyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CAS 52598-30-8C15H14N6O2
3-(4-Fluorophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione chemical structure, C15H13FN6O2, CAS 370575-68-1
3-(4-Fluorophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
CAS 370575-68-1C15H13FN6O2
(1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 3-(3,4-dihydroxyphenyl)-1-ethyl-1,4-dihydro-9-methyl- chemical structure, C16H16N6O4, CAS 105774-51-4
(1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 3-(3,4-dihydroxyphenyl)-1-ethyl-1,4-dihydro-9-methyl-
CAS 105774-51-4C16H16N6O4
(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester chemical structure, C20H22N6O4, CAS 105774-55-8
(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester
CAS 105774-55-8C20H22N6O4
(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, hydrazide chemical structure, C18H20N8O3, CAS 105774-59-2
(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, hydrazide
CAS 105774-59-2C18H20N8O3
(1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-3-(p-ethylphenyl)-9-methyl- chemical structure, C16H16N6O2, CAS 106087-38-1
(1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-3-(p-ethylphenyl)-9-methyl-
CAS 106087-38-1C16H16N6O2
3-(4-Bromophenyl)-9-methyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione chemical structure, C14H11BrN6O2, CAS 303969-74-6
3-(4-Bromophenyl)-9-methyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
CAS 303969-74-6C14H11BrN6O2
9-Methyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C14H12N6O2, CAS 81147-02-6
9-Methyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CAS 81147-02-6C14H12N6O2
3-(4-Chlorophenyl)-1,7,9-trimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C16H15ClN6O2, CAS 309289-95-0
3-(4-Chlorophenyl)-1,7,9-trimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
CAS 309289-95-0C16H15ClN6O2
3-(4-Chlorophenyl)-7,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C15H13ClN6O2, CAS 324578-02-1
3-(4-Chlorophenyl)-7,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CAS 324578-02-1C15H13ClN6O2
1-(2-Hydroxyethyl)-4,7,9-trimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C18H20N6O3, CAS 727662-97-7
1-(2-Hydroxyethyl)-4,7,9-trimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
CAS 727662-97-7C18H20N6O3
3-(4-Bromophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C17H17BrN6O3, CAS 370072-13-2
3-(4-Bromophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
CAS 370072-13-2C17H17BrN6O3
4-Ethyl-1-(2-hydroxyethyl)-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C19H22N6O3, CAS 489415-70-5
4-Ethyl-1-(2-hydroxyethyl)-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
CAS 489415-70-5C19H22N6O3
3-(4-Chlorophenyl)-1-ethyl-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C17H17ClN6O2, CAS 371955-68-9
3-(4-Chlorophenyl)-1-ethyl-7,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
CAS 371955-68-9C17H17ClN6O2
3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C14H11ClN6O2, CAS 105774-49-0
3-(4-Chlorophenyl)-9-methyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CAS 105774-49-0C14H11ClN6O2
4,7,9-Trimethyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C16H16N6O2, CAS 714236-16-5
4,7,9-Trimethyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CAS 714236-16-5C16H16N6O2
1-Ethyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C17H18N6O2, CAS 339360-74-6
1-Ethyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
CAS 339360-74-6C17H18N6O2
4-Ethyl-7,9-dimethyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C17H18N6O2, CAS 500143-78-2
4-Ethyl-7,9-dimethyl-3-phenyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CAS 500143-78-2C17H18N6O2
9-Methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione chemical structure, C14H11N7O4, CAS 313255-29-7
9-Methyl-3-(3-nitrophenyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
CAS 313255-29-7C14H11N7O4
1,7,9-Trimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione chemical structure, C16H16N6O2, CAS 57509-06-5
1,7,9-Trimethyl-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
CAS 57509-06-5C16H16N6O2
7,9-Dimethyl-3-phenyl-1-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione chemical structure, C18H20N6O2, CAS 57509-07-6
7,9-Dimethyl-3-phenyl-1-propyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
CAS 57509-07-6C18H20N6O2
7,9-Dimethyl-1-(2-oxopropyl)-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione chemical structure, C18H18N6O3, CAS 898448-51-6
7,9-Dimethyl-1-(2-oxopropyl)-3-phenyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
CAS 898448-51-6C18H18N6O3
3-(4-Chlorophenyl)-1-(3-hydroxypropyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione chemical structure, C18H19ClN6O3, CAS 919020-15-8
3-(4-Chlorophenyl)-1-(3-hydroxypropyl)-7,9-dimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
CAS 919020-15-8C18H19ClN6O3
2-(3-(4-Fluorophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)acetic acid chemical structure, C17H15FN6O4, CAS 923376-79-8
2-(3-(4-Fluorophenyl)-7,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro-[1,2,4]triazino[3,4-f]purin-1(4H)-yl)acetic acid
CAS 923376-79-8C17H15FN6O4