Murcko scaffold
6-Mercaptopurine scaffold
104 chemicals on CompoundList share this ring system.
- Rings
- 2
- Scaffold atoms
- 10
- Chemicals
- 104
- With full pages
- 15
Scaffold SMILES
S=c1nc[nH]c2nc[nH]c12
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 S=c1nc[nH]c2nc[nH]c12](/scaffold/GLVAUDGFNGKCSF-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 49 to 96 of 104 chemicals
8-Chloro-3,7-dihydropurine-6-thione
CAS 6974-66-9C5H3ClN4S
9H-Purine-6-thiol, 2-amino-9-ethyl-
CAS 24397-94-2C7H9N5S
2,8-Diamino-3,7-dihydropurine-6-thione
CAS 89323-36-4C5H6N6S
RefChem:314047
CAS 6223-74-1C7H8N4S
![1-Methyl-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea chemical structure, C9H12N6OS, CAS 90563-39-6](/s/MFXAXUMVFGKCQY-UHFFFAOYSA-N.svg)
1-Methyl-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea
CAS 90563-39-6C9H12N6OS
7-(6-Sulfanylidene-3H-purin-9-yl)heptanoic acid
CAS 34397-03-0C12H16N4O2S
![9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]- chemical structure, C13H20N4O5S2, CAS 39039-52-6](/s/KXAKPQRPMXMMAK-UHFFFAOYSA-N.svg)
9H-Purine-6-thiol,3,4,5,6-pentahydroxyhexyl]-
CAS 39039-52-6C13H20N4O5S2
9-Octadecyl-3H-purine-6-thione
CAS 82191-99-9C23H40N4S
5-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)pentanenitrile
CAS 91130-15-3C10H11N5S
![O-[5-(6-Sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate chemical structure, C11H15N5OS2, CAS 3342-89-0](/s/PSMWWOIRJZQOFM-UHFFFAOYSA-N.svg)
O-[5-(6-Sulfanylidene-3H-purin-9-yl)pentyl] carbamothioate
CAS 3342-89-0C11H15N5OS2
RefChem:314051
CAS 88511-80-2C5H5N5O2S2
2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol
CAS 55094-94-5C20H26N4O8S2
7-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)heptanenitrile
CAS 4323-17-5C12H15N5S
9H-Purine-6-thiol, 9-pentyl-
CAS 91060-50-3C10H14N4S
![[2,3,4,5-Tetraacetyloxy-6-ethylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] acetate chemical structure, C23H30N4O10S2, CAS 39011-61-5](/s/IUQZNKFOBHQCTI-UHFFFAOYSA-N.svg)
[2,3,4,5-Tetraacetyloxy-6-ethylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] acetate
CAS 39011-61-5C23H30N4O10S2
9-Propyl-3H-purine-6-thione
CAS 80655-35-2C8H10N4S
RefChem:314059
CAS 1996-33-4C6H3F3N4S
9-Hexyl-3H-purine-6-thione
CAS 23126-85-4C11H16N4S
3-Methyl-7H-purine-6-thione
CAS 1006-12-8C6H6N4S
RefChem:314060
CAS 22529-10-8C6H7N5S
9H-Purine-6(1H)-thione, 2,9-diethyl-
CAS 6223-60-5C9H12N4S
RefChem:314064
CAS 5453-09-8C6H5ClN4S2
9-(5-Hydroxypentyl)-3,9-dihydro-6H-purine-6-thione
CAS 17756-29-5C10H14N4OS
![1-Methyl-1-nitroso-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea chemical structure, C9H11N7O2S, CAS 90642-34-5](/s/LCCSEEYLYJMAKG-UHFFFAOYSA-N.svg)
1-Methyl-1-nitroso-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea
CAS 90642-34-5C9H11N7O2S
- 2-(6-Sulfanylidene-3H-purin-9-yl)ethyl acetate7149-22-6C9H10N4O2S
- 4-(6-Sulfanylidene-3,6-dihydro-9H-purin-9-yl)butanoic acid6953-34-0C9H10N4O2S
- 9-Octyl-3H-purine-6-thione7153-10-8C13H20N4S
- 9H-Purine-6(1H)-thione, 9-amino-20914-56-1C5H5N5S
- 2-Amino-3-methyl-7H-purine-6-thione89415-36-1C6H7N5S
- [2,3,4,5-Tetraacetyloxy-6-methylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] acetate74247-53-3C22H28N4O10S2
- 9-Tetradecyl-3H-purine-6-thione82191-97-7C19H32N4S
- 3-Ethyl-3H-purine-6(7H)-thione327036-84-0C7H8N4S
- N-(6-Sulfanylidene-6,7-dihydro-3H-purin-2-yl)acetamide6432-55-9C7H7N5OS
- 6-Mercaptopurine hydrochloride207729-57-5C5H5ClN4S
- 2-Bromo-7H-purine-6-thiol139244-00-1C5H3BrN4S
- 9-[3-(Diethylamino)-2-hydroxypropyl]-3,9-dihydro-6H-purine-6-thione--hydrogen chloride (1/1)19271-03-5C12H20ClN5OS
- 9-{[5-(Diethylamino)pentan-2-yl]amino}-3,9-dihydro-6H-purine-6-thione--hydrogen bromide (1/1)20914-58-3C14H25BrN6S
- Purine-6-thiol, monosilver(1+) salt29648-14-4C5H4AgN4S
- 6-Mercaptopurine-13C2,15N1190008-04-8C5H4N4S
- 6H-Purine-6-thione, 9-ethyl-1,9-dihydro-8-propyl-682345-37-5C10H14N4S
- 6H-Purine-6-thione, 1,7-dihydro-, 9-oxide856611-14-8C5H4N4OS
- Platinum thioguanine69203-91-4C5H5N5PtS
- 9-(2-Aminoethyl)-3H-purine-6-thione, hydrochloride7150-65-4C7H10ClN5S
- Bismuth-6-mercaptopurine66626-12-8C5H4BiN4S
- 2-Amino-6-mercaptopurine-13C2,15N1330266-29-9C5H5N5S
- Thioguanine hemihydrate5580-03-0C10H12N10OS2
- 1,9-Dihydro-2,8-bis(methylthio)-6H-purine-6-thione98277-54-4C7H8N4S3
- Methyl 3-(6-thioxo-1H-purin-9(6H)-yl)propanoate1362247-94-6C9H10N4O2S
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold c1ccc2[nH]ccc2c1](/scaffold/SIKJAQJRHWYJAI-UHFFFAOYSA-N/structure.svg)
c1ccc2[nH]ccc2c12,455 chemicals![Scaffold c1ccc2[nH]cnc2c1](/scaffold/HYZJCKYKOHLVJF-UHFFFAOYSA-N/structure.svg)
c1ccc2[nH]cnc2c11,206 chemicals![Scaffold c1ccc2[nH]ncc2c1](/scaffold/BAXOFTOLAUCFNW-UHFFFAOYSA-N/structure.svg)
c1ccc2[nH]ncc2c1795 chemicals
c1ccc2scnc2c1756 chemicals
c1ccc2occc2c1632 chemicals
c1ccc2c(c1)CCC2621 chemicals
c1ccc2c(c1)OCO2536 chemicals
c1ccc2sccc2c1529 chemicals
c1ccn2ccnc2c1525 chemicals
c1ccc2c(c1)CCN2440 chemicals![Scaffold O=c1[nH]c(=O)c2[nH]cnc2[nH]1](/scaffold/LRFVTYWOQMYALW-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2[nH]cnc2[nH]1411 chemicals
O=C1NC(=O)c2ccccc21352 chemicals