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Murcko scaffold

Ring system with 3 rings and 20 atoms

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
18
With full pages
5
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(SCCc3ccccc3)nc2[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)c2[nH]c(SCCc3ccccc3)nc2[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 18 of 18 chemicals

3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione chemical structure, C19H24N4O2S, CAS 328068-83-3
3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione
CAS 328068-83-3C19H24N4O2S
7-Isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H24N4O2S, CAS 331841-65-7
7-Isopentyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
CAS 331841-65-7C19H24N4O2S
3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-purine-2,6-dione chemical structure, C17H20N4O2S, CAS 189149-69-7
3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-purine-2,6-dione
CAS 189149-69-7C17H20N4O2S
7-Allyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H18N4O2S, CAS 313470-38-1
7-Allyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
CAS 313470-38-1C17H18N4O2S
7-Isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H20N4O2S, CAS 313470-75-6
7-Isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
CAS 313470-75-6C17H20N4O2S
1,3-Dimethyl-7-(2-methylprop-2-enyl)-8-(2-phenylethylthio)-1,3,7-trihydropurin e-2,6-dione chemical structure, C19H22N4O2S, CAS 493002-84-9
1,3-Dimethyl-7-(2-methylprop-2-enyl)-8-(2-phenylethylthio)-1,3,7-trihydropurin e-2,6-dione
CAS 493002-84-9C19H22N4O2S
1,3-Dimethyl-8-[(2-phenylethyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H20N4O2S, CAS 377069-05-1
1,3-Dimethyl-8-[(2-phenylethyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS 377069-05-1C18H20N4O2S
3-Methyl-7-(2-methylprop-2-en-1-yl)-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H20N4O2S, CAS 332098-78-9
3-Methyl-7-(2-methylprop-2-en-1-yl)-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 332098-78-9C18H20N4O2S
7-Isopentyl-1,3-dimethyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26N4O2S, CAS 442865-00-1
7-Isopentyl-1,3-dimethyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
CAS 442865-00-1C20H26N4O2S
7-(3-Chloro-2-butenyl)-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H19ClN4O2S, CAS 370076-83-8
7-(3-Chloro-2-butenyl)-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 370076-83-8C18H19ClN4O2S
7-(2-Methoxyethyl)-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H20N4O3S, CAS 499986-58-2
7-(2-Methoxyethyl)-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
CAS 499986-58-2C17H20N4O3S
3-Methyl-7-octyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H30N4O2S, CAS 331842-88-7
3-Methyl-7-octyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 331842-88-7C22H30N4O2S
3-Methyl-7-nonyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H32N4O2S, CAS 316360-98-2
3-Methyl-7-nonyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 316360-98-2C23H32N4O2S
7-Hexadecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C30H46N4O2S, CAS 331842-94-5
7-Hexadecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 331842-94-5C30H46N4O2S
7-Dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C26H38N4O2S, CAS 329705-99-9
7-Dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 329705-99-9C26H38N4O2S
7-Hexyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H26N4O2S, CAS 332033-57-5
7-Hexyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 332033-57-5C20H26N4O2S
7-(2-Ethoxyethyl)-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H22N4O3S, CAS 796880-83-6
7-(2-Ethoxyethyl)-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
CAS 796880-83-6C18H22N4O3S
7-(2-Butenyl)-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H20N4O2S, CAS 313470-42-7
7-(2-Butenyl)-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 313470-42-7C18H20N4O2S