CompoundList
Sign in
Murcko scaffold

8-Phenylxanthine scaffold

79 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
79
With full pages
35
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)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 scaffoldOpen the 8-Phenylxanthine page
Murcko scaffold O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)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 48 of 79 chemicals

1,3-Diethyl-8-phenylxanthine chemical structure, C15H16N4O2, CAS 75922-48-4
1,3-Diethyl-8-phenylxanthine
CAS 75922-48-4C15H16N4O2
4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid chemical structure, C17H20N4O5S, CAS 89073-57-4
4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonic acid
CAS 89073-57-4C17H20N4O5S
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine chemical structure, C16H16N4O5S, CAS 149981-25-9
1-Allyl-3,7-dimethyl-8-sulfophenylxanthine
CAS 149981-25-9C16H16N4O5S
8-(p-Sulfophenyl)theophylline chemical structure, C13H12N4O5S, CAS 80206-91-3
8-(p-Sulfophenyl)theophylline
CAS 80206-91-3C13H12N4O5S
8-Phenyltheophylline chemical structure, C13H12N4O2, CAS 961-45-5
8-Phenyltheophylline
CAS 961-45-5C13H12N4O2
Xanthine amine congener chemical structure, C21H28N6O4, CAS 96865-92-8
Xanthine amine congener
CAS 96865-92-8C21H28N6O4
1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine chemical structure, C17H20ClN5O2, CAS 85872-51-1
1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine
CAS 85872-51-1C17H20ClN5O2
BW A1433U chemical structure, C18H20N4O4, CAS 94781-78-9
BW A1433U
CAS 94781-78-9C18H20N4O4
N-(2-(Dimethylamino)ethyl)-N-methyl-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide chemical structure, C22H32N6O4S, CAS 107478-35-3
N-(2-(Dimethylamino)ethyl)-N-methyl-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide
CAS 107478-35-3C22H32N6O4S
KF 17837 chemical structure, C20H26N4O4, CAS 152881-18-0
KF 17837
CAS 152881-18-0C20H26N4O4
8-(4-Carboxymethyloxy)phenyl-1,3-dipropylxanthine chemical structure, C19H22N4O5, CAS 96865-83-7
8-(4-Carboxymethyloxy)phenyl-1,3-dipropylxanthine
CAS 96865-83-7C19H22N4O5
3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione chemical structure, C17H20N4O2, CAS 85872-53-3
3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
CAS 85872-53-3C17H20N4O2
8-(3-Sulfophenyl)theophylline chemical structure, C13H12N4O5S, CAS 129107-78-4
8-(3-Sulfophenyl)theophylline
CAS 129107-78-4C13H12N4O5S
BW A533U chemical structure, C14H12N4O4, CAS 85872-58-8
BW A533U
CAS 85872-58-8C14H12N4O4
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- chemical structure, C22H32N6O4S, CAS 96445-35-1
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-
CAS 96445-35-1C22H32N6O4S
1,3-Dimethyl-8-(4-nitro-phenyl)-3,7-dihydro-purine-2,6-dione chemical structure, C13H11N5O4, CAS 1094-63-9
1,3-Dimethyl-8-(4-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
CAS 1094-63-9C13H11N5O4
1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione chemical structure, C13H11N5O4, CAS 78146-60-8
1,3-Dimethyl-8-(2-nitro-phenyl)-3,7-dihydro-purine-2,6-dione
CAS 78146-60-8C13H11N5O4
7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H12N4O3, CAS 963-71-3
7-Hydroxy-1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
CAS 963-71-3C13H12N4O3
8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C13H11ClN4O2, CAS 29064-02-6
8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 29064-02-6C13H11ClN4O2
8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C13H10Cl2N4O2, CAS 54013-58-0
8-(3,4-Dichloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 54013-58-0C13H10Cl2N4O2
8-(4-Chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione chemical structure, C13H11ClN4O2, CAS 29220-28-8
8-(4-Chlorophenyl)-1,9-dimethyl-3H-purine-2,6-dione
CAS 29220-28-8C13H11ClN4O2
1,9-Dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione chemical structure, C13H12N4O2, CAS 29064-04-8
1,9-Dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
CAS 29064-04-8C13H12N4O2
1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione chemical structure, C12H10N4O2, CAS 2850-37-5
1-Methyl-8-phenyl-3,7-dihydropurine-2,6-dione
CAS 2850-37-5C12H10N4O2
8-(4-Chlorophenyl)-1-methyl-9-propyl-3H-purine-2,6-dione chemical structure, C15H15ClN4O2, CAS 61080-35-1
8-(4-Chlorophenyl)-1-methyl-9-propyl-3H-purine-2,6-dione
CAS 61080-35-1C15H15ClN4O2