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Murcko scaffold

Ring system with 4 rings and 22 atoms

32 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 22
Chemicals: 32
With full pages: 25

Scaffold SMILES

O=c1[nH]c(=O)c2c(nc3n2CCCN3Cc2ccccc2)[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(nc3n2CCCN3Cc2ccccc2)[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 32 of 32 chemicals

1-Methyl-9-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C17H19N5O2, CAS 303972-89-6

1-Methyl-9-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

CAS 303972-89-6C₁₇H₁₉N₅O₂

9-Benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C16H17N5O2, CAS 714243-82-0

9-Benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 714243-82-0C₁₆H₁₇N₅O₂

9-Benzyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C19H23N5O3, CAS 873076-96-1

9-Benzyl-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 873076-96-1C₁₉H₂₃N₅O₃

9-Benzyl-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C19H21N5O2, CAS 873076-97-2

9-Benzyl-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 873076-97-2C₁₉H₂₁N₅O₂

9-Benzyl-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C20H23N5O2, CAS 873076-98-3

9-Benzyl-1-methyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 873076-98-3C₂₀H₂₃N₅O₂

2-(9-Benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetic acid chemical structure, C18H19N5O4, CAS 878423-55-3

2-(9-Benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetic acid

CAS 878423-55-3C₁₈H₁₉N₅O₄

2-(9-Benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide chemical structure, C18H20N6O3, CAS 850800-38-3

2-(9-Benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide

CAS 850800-38-3C₁₈H₂₀N₆O₃

Methyl 2-(9-benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate chemical structure, C19H21N5O4, CAS 849912-70-5

Methyl 2-(9-benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate

CAS 849912-70-5C₁₉H₂₁N₅O₄

9-Benzyl-1-methyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C19H23N5O2, CAS 850751-28-9

9-Benzyl-1-methyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 850751-28-9C₁₉H₂₃N₅O₂

9-Benzyl-3-butyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C20H25N5O2, CAS 850801-07-9

9-Benzyl-3-butyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 850801-07-9C₂₀H₂₅N₅O₂

9-Benzyl-1-methyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C21H27N5O2, CAS 862488-33-3

9-Benzyl-1-methyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 862488-33-3C₂₁H₂₇N₅O₂

9-Benzyl-3-isobutyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H25N5O2, CAS 850826-22-1

9-Benzyl-3-isobutyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

CAS 850826-22-1C₂₀H₂₅N₅O₂

Ethyl 2-(9-benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate chemical structure, C20H23N5O4, CAS 862197-70-4

Ethyl 2-(9-benzyl-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetate

CAS 862197-70-4C₂₀H₂₃N₅O₄

9-Benzyl-3-(2-methoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C19H23N5O3, CAS 862487-43-2

9-Benzyl-3-(2-methoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

CAS 862487-43-2C₁₉H₂₃N₅O₃

9-Benzyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C17H19N5O2, CAS 714937-80-1

9-Benzyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 714937-80-1C₁₇H₁₉N₅O₂

9-Benzyl-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C21H27N5O2, CAS 877807-18-6

9-Benzyl-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 877807-18-6C₂₁H₂₇N₅O₂

9-Benzyl-3-ethyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C18H21N5O2, CAS 877622-32-7

9-Benzyl-3-ethyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 877622-32-7C₁₈H₂₁N₅O₂

9-Benzyl-3-(2-ethoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H25N5O3, CAS 877790-21-1

9-Benzyl-3-(2-ethoxyethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

CAS 877790-21-1C₂₀H₂₅N₅O₃

9-Benzyl-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C20H23N5O2, CAS 876899-30-8

9-Benzyl-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

CAS 876899-30-8C₂₀H₂₃N₅O₂

2-(9-Benzyl-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetic acid chemical structure, C19H21N5O4, CAS 878736-35-7

2-(9-Benzyl-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetic acid

CAS 878736-35-7C₁₉H₂₁N₅O₄

9-Benzyl-1-methyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C19H21N5O3, CAS 873076-94-9

9-Benzyl-1-methyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

CAS 873076-94-9C₁₉H₂₁N₅O₃

9-Benzyl-1,7-dimethyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H23N5O3, CAS 923400-17-3

9-Benzyl-1,7-dimethyl-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

CAS 923400-17-3C₂₀H₂₃N₅O₃

2-(9-Benzyl-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide chemical structure, C19H22N6O3, CAS 877616-15-4

2-(9-Benzyl-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide

CAS 877616-15-4C₁₉H₂₂N₆O₃

9-Benzyl-1,7-dimethyl-3-propyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C20H25N5O2, CAS 876151-80-3

9-Benzyl-1,7-dimethyl-3-propyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

CAS 876151-80-3C₂₀H₂₅N₅O₂