Murcko scaffold
Benzylaminopurine scaffold
125 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 17
- Chemicals
- 125
- With full pages
- 30
Scaffold SMILES
c1ccc(CNc2ncnc3[nH]cnc23)cc1
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.
![Murcko scaffold c1ccc(CNc2ncnc3[nH]cnc23)cc1](/scaffold/NWBJYWHLCVSVIJ-UHFFFAOYSA-N/structure.svg)
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 125 chemicals
Bohemine
CAS 189232-42-6C18H24N6O
Olomoucine
CAS 101622-51-9C15H18N6O
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CAS 186692-44-4C19H26N6O
Benzylaminopurine
CAS 1214-39-7C12H11N5
alpha-(N6-adenyl)styrene oxide
CAS 55553-54-3C13H13N5
1H-Purin-6-amine, N-((4-nitrophenyl)methyl)-
CAS 5134-49-6C12H10N6O2
Roscovitine
CAS 186692-46-6C19H26N6O
N-Benzyl-9-methyl-9H-purin-6-amine
CAS 5440-16-4C13H13N5
iso-Olomoucine
CAS 101622-50-8C15H18N6O
p-Toluenesulfonamide, alpha-(purin-6-ylamino)-
CAS 21266-66-0C12H12N6O2S
Adenine,6N-P-fluorobenzyl
CAS 67023-52-3C12H10FN5
![4-[(7H-Purin-6-ylamino)methyl]benzoic acid chemical structure, C13H11N5O2, CAS 115280-83-6](/s/VRXDOOJUONBFAW-UHFFFAOYSA-N.svg)
4-[(7H-Purin-6-ylamino)methyl]benzoic acid
CAS 115280-83-6C13H11N5O2
Adenine,6N-P-methoxybenzyl
CAS 105945-91-3C13H13N5O
N-(2-Methoxybenzyl)-9H-purin-6-amine
CAS 75737-41-6C13H13N5O
N-Benzyl-9-(3-methylbutyl)purin-6-amine
CAS 329720-37-8C17H21N5
![N-[(4-Methylphenyl)methyl]-7H-purin-6-amine chemical structure, C13H13N5, CAS 75737-43-8](/s/KOGDZGJILJKQJY-UHFFFAOYSA-N.svg)
N-[(4-Methylphenyl)methyl]-7H-purin-6-amine
CAS 75737-43-8C13H13N5
![N-[(3-Methoxyphenyl)methyl]-7H-purin-6-amine chemical structure, C13H13N5O, CAS 75737-39-2](/s/JLFVTVWYTKYYPS-UHFFFAOYSA-N.svg)
N-[(3-Methoxyphenyl)methyl]-7H-purin-6-amine
CAS 75737-39-2C13H13N5O
![N-[(4-Chlorophenyl)methyl]-7H-purin-6-amine chemical structure, C12H10ClN5, CAS 4217-46-3](/s/PWBBVABVBNINRX-UHFFFAOYSA-N.svg)
N-[(4-Chlorophenyl)methyl]-7H-purin-6-amine
CAS 4217-46-3C12H10ClN5
RefChem:382306
CAS 20366-86-3C12H10ClN5
6-(3-Chlorobenzylamino)purine
CAS 67023-53-4C12H10ClN5
N-Benzyl-N-butyl-9H-purin-6-amine
CAS 113650-40-1C16H19N5
Butanoic acid, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2R)-
CAS 482615-12-3C19H24N6O2
Methylene-2-azido-6-benzylaminopurine
CAS 61716-00-5C12H10N8
N-Benzyl-2-(trifluoromethyl)-3H-purin-6-amine
CAS 6621-82-5C13H10F3N5
- 6-(2-Hydroxybenzylamino)-2-(3-hydroxypropylamino)-9-isopropylpurine471270-60-7C18H24N6O2
- 1-Benzyl-1-(7H-purin-6-yl)hydrazine13976-16-4C12H12N6
- Aftin-4866893-90-5C20H28N6O
- Olomoucine ii500735-47-7C19H26N6O2
- N-Benzyl-7H-purin-1-ium-6-amine7242-54-8C12H12N5+
- 1H-Purin-6-amine, N-((3-fluorophenyl)methyl)-67023-51-2C12H10FN5
- 2 suppliers(2S)-2-((9-(1-Methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol186692-45-5C19H26N6O
- 2-((6-(Benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)ethan-1-ol158982-15-1C17H22N6O
- 1 suppliersCvt-313199986-75-9C20H28N6O3
- 1 suppliers2-Chloro-9-isopropyl-N-(4-methoxybenzyl)-9H-purin-6-amine203436-13-9C16H18ClN5O
- 2-Phenyl-2-[(7H-purin-6-yl)amino]ethan-1-ol19272-68-5C13H13N5O
- Acetamide, N-(2-amino-2-oxoethyl)-2-methoxy-N-(9-methyl-6-(((4-(trifluoromethyl)phenyl)methyl)amino)-9H-purin-2-yl)-206275-65-2C19H20F3N7O3
- Phenol, 4-[(1H-purin-6-ylamino)methyl]-80054-30-4C12H11N5O
- N-[(3-Iodophenyl)methyl]-7H-purin-6-amine72158-53-3C12H10IN5
- 2-Chloro-N-(3-iodobenzyl)-9-(trimethylsilyl)-9H-purin-6-amine163042-95-3C15H17ClIN5Si
- 2-Chloro-N-(3-iodobenzyl)-7H-purin-6-amine120046-86-8C12H9ClIN5
- 2-((6-(Benzylamino)-1H-purin-2-yl)amino)ethanol70608-06-9C14H16N6O
- 9H-Purin-6-amine, 9-(1-methylethyl)-N-(phenylmethyl)-111853-20-4C15H17N5
- N-Benzyl-2-chloro-9-isopropyl-9H-purin-6-amine186692-41-1C15H16ClN5
- 1 suppliersN-Benzyl-2-chloro-9H-purin-6-amine39639-47-9C12H10ClN5
- 2-Chloro-6-(2-hydroxybenzylamino)-9-isopropylpurine500568-72-9C15H16ClN5O
- 6-Benzylaminopurine hydrochloride162714-86-5C12H12ClN5
- ortho-Topolin20366-83-0C12H11N5O
- 3 suppliersmeta-Topolin75737-38-1C12H11N5O
Related scaffolds
Same ring framework with different atoms or bond orders
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O=C(Nc1cccc2nsnc12)c1ccccc19 chemicals
O=S(=O)(Nc1ccccc1)c1cccc2nsnc129 chemicals
c1ccc(OCc2ccnc3ncnn23)cc19 chemicals![Scaffold c1ccc(COc2cccc3cc[nH]c23)cc1](/scaffold/DIGZMTAFOACVBW-UHFFFAOYSA-N/structure.svg)
c1ccc(COc2cccc3cc[nH]c23)cc16 chemicals
c1ccc(COc2cccn3ccnc23)cc16 chemicals![Scaffold O=S(=O)(Nc1cccc2[nH]cnc12)c1ccccc1](/scaffold/PUYYETOVWXXCGJ-UHFFFAOYSA-N/structure.svg)
O=S(=O)(Nc1cccc2[nH]cnc12)c1ccccc16 chemicals
O=C1CSC2=NC=CC(C=Cc3ccccc3)N125 chemicals