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Murcko scaffold

6,7,8,9-Tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one scaffold

8 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
12
Chemicals
8
With full pages
3
Scaffold SMILES

O=c1[nH]cnc2c1CCNCC2

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 6,7,8,9-Tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one page
Murcko scaffold O=c1[nH]cnc2c1CCNCC2

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 8 of 8 chemicals

2-Methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one chemical structure, C9H13N3O, CAS 391953-90-5
2-Methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CAS 391953-90-5C9H13N3O
tert-Butyl 2-amino-4-hydroxy-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate chemical structure, C13H20N4O3, CAS 1245646-44-9
tert-Butyl 2-amino-4-hydroxy-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
CAS 1245646-44-9C13H20N4O3
6,7,8,9-Tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one chemical structure, C8H11N3O, CAS 46001-09-6
6,7,8,9-Tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one
CAS 46001-09-6C8H11N3O
tert-Butyl 4-hydroxy-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate chemical structure, C13H19N3O3, CAS 951134-38-6
tert-Butyl 4-hydroxy-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate
CAS 951134-38-6C13H19N3O3
3H,4H,5H,6H,7H,8H,9H-Pyrimido[4,5-d]azepin-4-one dihydrochloride chemical structure, C8H13Cl2N3O, CAS 1982213-80-8
3H,4H,5H,6H,7H,8H,9H-Pyrimido[4,5-d]azepin-4-one dihydrochloride
CAS 1982213-80-8C8H13Cl2N3O
4-Hydroxy-2-methylsulfanyl-5,6,8,9-tetrahydro-pyrimido[4,5-d]azepine-7-carboxylic acid tert-butyl ester chemical structure, C14H21N3O3S, CAS 951142-33-9
4-Hydroxy-2-methylsulfanyl-5,6,8,9-tetrahydro-pyrimido[4,5-d]azepine-7-carboxylic acid tert-butyl ester
CAS 951142-33-9C14H21N3O3S
3,5,6,7,8,9-Hexahydro-4H-pyrimido[4,5-d]azepin-4-one hydrochloride chemical structure, C8H12ClN3O, CAS 32161-02-7
3,5,6,7,8,9-Hexahydro-4H-pyrimido[4,5-d]azepin-4-one hydrochloride
CAS 32161-02-7C8H12ClN3O
2-Methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido(4,5-d)azepin-4-one dihydrochloride chemical structure, C9H15Cl2N3O, CAS 2503208-87-3
2-Methyl-3H,4H,5H,6H,7H,8H,9H-pyrimido(4,5-d)azepin-4-one dihydrochloride
CAS 2503208-87-3C9H15Cl2N3O