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Murcko scaffold

Ring system with 2 rings and 13 atoms

7 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
7
With full pages
1
Scaffold SMILES

S=c1sccn1Cc1cncnc1

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 S=c1sccn1Cc1cncnc1

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 7 of 7 chemicals

Thiothiamine chemical structure, C12H16N4OS2, CAS 299-35-4
Thiothiamine
CAS 299-35-4C12H16N4OS2
Thiamine thiothiazolone pyrophosphate chemical structure, C12H18N4O7P2S2, CAS 59733-98-1
Thiamine thiothiazolone pyrophosphate
CAS 59733-98-1C12H18N4O7P2S2
Thiothiamine hydrochloride chemical structure, C12H17ClN4OS2, CAS 2443-50-7
Thiothiamine hydrochloride
CAS 2443-50-7C12H17ClN4OS2
3-[(4-Amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione chemical structure, C11H14N4OS2, CAS 49615-40-9
3-[(4-Amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione
CAS 49615-40-9C11H14N4OS2
5-[2-(Acetyloxy)ethyl]-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-2(3H)-thiazolethione chemical structure, C14H18N4O2S2, CAS 92325-11-6
5-[2-(Acetyloxy)ethyl]-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-2(3H)-thiazolethione
CAS 92325-11-6C14H18N4O2S2
tert-Butyl N-(5-{[5-(2-hydroxyethyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]methyl}-2-methylpyrimidin-4-yl)carbamate chemical structure, C17H24N4O3S2, CAS 2413900-95-3
tert-Butyl N-(5-{[5-(2-hydroxyethyl)-4-methyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-3-yl]methyl}-2-methylpyrimidin-4-yl)carbamate
CAS 2413900-95-3C17H24N4O3S2
Thiamine impurity 42 chemical structure, C12H15ClN4S2, CAS 38655-47-9
Thiamine impurity 42
CAS 38655-47-9C12H15ClN4S2