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Murcko scaffold

Ring system with 5 rings and 29 atoms

26 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
26
With full pages
6
Scaffold SMILES

O=c1[nH]c2nc3n(c2c(=O)n1CCN1CCOCC1)CCCN3c1ccccc1

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]c2nc3n(c2c(=O)n1CCN1CCOCC1)CCCN3c1ccccc1

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 26 of 26 chemicals

1-Methyl-9-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H28N6O3, CAS 845806-66-8
1-Methyl-9-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 845806-66-8C22H28N6O3
1-Methyl-9-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H28N6O3, CAS 845902-20-7
1-Methyl-9-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 845902-20-7C22H28N6O3
1-Methyl-3-(2-morpholin-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C21H26N6O3, CAS 847037-49-4
1-Methyl-3-(2-morpholin-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 847037-49-4C21H26N6O3
9-(3,5-Dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H30N6O3, CAS 847046-82-6
9-(3,5-Dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 847046-82-6C23H30N6O3
9-(4-Methoxyphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H28N6O4, CAS 848222-17-3
9-(4-Methoxyphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848222-17-3C22H28N6O4
9-(4-Methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H30N6O4, CAS 848734-68-9
9-(4-Methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848734-68-9C23H30N6O4
9-(4-Ethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H30N6O3, CAS 848736-30-1
9-(4-Ethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848736-30-1C23H30N6O3
9-(4-Ethylphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C24H32N6O3, CAS 848868-90-6
9-(4-Ethylphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848868-90-6C24H32N6O3
9-(3-Methoxyphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H28N6O4, CAS 848674-65-7
9-(3-Methoxyphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848674-65-7C22H28N6O4
9-(3-Methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H30N6O4, CAS 848206-61-1
9-(3-Methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848206-61-1C23H30N6O4
1,7-Dimethyl-3-(2-morpholin-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H28N6O3, CAS 848279-26-5
1,7-Dimethyl-3-(2-morpholin-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848279-26-5C22H28N6O3
1,7-Dimethyl-9-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H30N6O3, CAS 848063-51-4
1,7-Dimethyl-9-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848063-51-4C23H30N6O3
1,7-Dimethyl-9-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H30N6O3, CAS 848729-50-0
1,7-Dimethyl-9-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 848729-50-0C23H30N6O3
9-(4-Ethoxyphenyl)-1,7-dimethyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H32N6O4, CAS 848735-03-5
9-(4-Ethoxyphenyl)-1,7-dimethyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848735-03-5C24H32N6O4
9-(4-Ethoxyphenyl)-1-methyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H30N6O4, CAS 844827-03-8
9-(4-Ethoxyphenyl)-1-methyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 844827-03-8C23H30N6O4
9-(4-Chlorophenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H27ClN6O3, CAS 923400-08-2
9-(4-Chlorophenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 923400-08-2C22H27ClN6O3
9-(3-Chloro-4-methylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H27ClN6O3, CAS 923480-98-2
9-(3-Chloro-4-methylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 923480-98-2C22H27ClN6O3
9-(2,4-Dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H30N6O3, CAS 923438-14-6
9-(2,4-Dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 923438-14-6C23H30N6O3
9-(4-Bromophenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C21H25BrN6O3, CAS 923399-80-8
9-(4-Bromophenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 923399-80-8C21H25BrN6O3
9-(4-Chlorophenyl)-1-methyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C21H25ClN6O3, CAS 922454-24-8
9-(4-Chlorophenyl)-1-methyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 922454-24-8C21H25ClN6O3
9-(2,3-Dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H30N6O3, CAS 922453-68-7
9-(2,3-Dimethylphenyl)-1-methyl-3-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 922453-68-7C23H30N6O3
9-(3,4-Dimethylphenyl)-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione chemical structure, C24H32N6O3, CAS 848064-38-0
9-(3,4-Dimethylphenyl)-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
CAS 848064-38-0C24H32N6O3
9-(4-Butylphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-1,3,5-trihydro-6H,7H, 8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione chemical structure, C26H36N6O3, CAS 887223-07-6
9-(4-Butylphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-1,3,5-trihydro-6H,7H, 8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
CAS 887223-07-6C26H36N6O3
9-(3,5-Dimethylphenyl)-1,7-dimethyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H32N6O3, CAS 848279-71-0
9-(3,5-Dimethylphenyl)-1,7-dimethyl-3-(2-morpholinoethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 848279-71-0C24H32N6O3