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Murcko scaffold

5H,6H,7H,8H,9H-Pyrimido(4,5-d)azepine scaffold

24 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
24
With full pages
5
Scaffold SMILES

c1ncc2c(n1)CCNCC2

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 5H,6H,7H,8H,9H-Pyrimido(4,5-d)azepine page
Murcko scaffold c1ncc2c(n1)CCNCC2

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 24 of 24 chemicals

5H,6H,7H,8H,9H-Pyrimido(4,5-d)azepine chemical structure, C8H11N3, CAS 31887-92-0
5H,6H,7H,8H,9H-Pyrimido(4,5-d)azepine
CAS 31887-92-0C8H11N3
tert-Butyl 2,4-dichloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate chemical structure, C13H17Cl2N3O2, CAS 1065114-27-3
tert-Butyl 2,4-dichloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate
CAS 1065114-27-3C13H17Cl2N3O2
tert-Butyl 4-chloro-5H,6H,7H,8H,9H-pyrimido(4,5-d)azepine-7-carboxylate chemical structure, C13H18ClN3O2, CAS 1057338-27-8
tert-Butyl 4-chloro-5H,6H,7H,8H,9H-pyrimido(4,5-d)azepine-7-carboxylate
CAS 1057338-27-8C13H18ClN3O2
2,4-Dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine chemical structure, C8H9Cl2N3, CAS 781612-89-3
2,4-Dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CAS 781612-89-3C8H9Cl2N3
4-Chloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine chemical structure, C8H10ClN3, CAS 1057338-28-9
4-Chloro-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
CAS 1057338-28-9C8H10ClN3
2,4-Dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine hydrochloride chemical structure, C8H10Cl3N3, CAS 635698-50-9
2,4-Dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine hydrochloride
CAS 635698-50-9C8H10Cl3N3
4-Chloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine hydrochloride chemical structure, C8H11Cl2N3, CAS 1057338-58-5
4-Chloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine hydrochloride
CAS 1057338-58-5C8H11Cl2N3
Ethyl 4-chloro-8,9-dihydro-5H-pyrimido[5,4-D]azepine-7(6H)-carboxylate chemical structure, C11H14ClN3O2, CAS 1245645-25-3
Ethyl 4-chloro-8,9-dihydro-5H-pyrimido[5,4-D]azepine-7(6H)-carboxylate
CAS 1245645-25-3C11H14ClN3O2
tert-Butyl 2-chloro-5H,6H,7H,8H,9H-pyrimido(4,5-d)azepine-7-carboxylate chemical structure, C13H18ClN3O2, CAS 1211538-47-4
tert-Butyl 2-chloro-5H,6H,7H,8H,9H-pyrimido(4,5-d)azepine-7-carboxylate
CAS 1211538-47-4C13H18ClN3O2
2-Chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepine chemical structure, C8H10ClN3, CAS 1393584-89-8
2-Chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepine
CAS 1393584-89-8C8H10ClN3
2-Methyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine chemical structure, C9H13N3, CAS 1086385-10-5
2-Methyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
CAS 1086385-10-5C9H13N3
4-Chloro-2-methyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine chemical structure, C9H12ClN3, CAS 1803561-51-4
4-Chloro-2-methyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
CAS 1803561-51-4C9H12ClN3
4-Chloro-2-ethyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine chemical structure, C10H14ClN3, CAS 1803566-39-3
4-Chloro-2-ethyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
CAS 1803566-39-3C10H14ClN3
2-Ethyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine chemical structure, C10H15N3, CAS 1823885-58-0
2-Ethyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
CAS 1823885-58-0C10H15N3
4-Chloro-2-(propan-2-yl)-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine chemical structure, C11H16ClN3, CAS 1823336-70-4
4-Chloro-2-(propan-2-yl)-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
CAS 1823336-70-4C11H16ClN3
2-(Propan-2-yl)-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine chemical structure, C11H17N3, CAS 1545198-15-9
2-(Propan-2-yl)-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
CAS 1545198-15-9C11H17N3
N-Isopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepin-4-amine chemical structure, C11H18N4, CAS 1422063-41-9
N-Isopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepin-4-amine
CAS 1422063-41-9C11H18N4
4-Methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepine chemical structure, C9H13N3O, CAS 1422068-22-1
4-Methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepine
CAS 1422068-22-1C9H13N3O
4-Ethoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine chemical structure, C10H15N3O, CAS 1422059-20-8
4-Ethoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CAS 1422059-20-8C10H15N3O
4-Isopropoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepine chemical structure, C11H17N3O, CAS 1422058-32-9
4-Isopropoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-D]azepine
CAS 1422058-32-9C11H17N3O
4-Ethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine chemical structure, C10H15N3, CAS 1422140-68-8
4-Ethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CAS 1422140-68-8C10H15N3
N-Ethyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine chemical structure, C11H18N4, CAS 1422140-78-0
N-Ethyl-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CAS 1422140-78-0C11H18N4
tert-Butyl 4-chloro-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate chemical structure, C14H20ClN3O2, CAS 1936592-58-3
tert-Butyl 4-chloro-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate
CAS 1936592-58-3C14H20ClN3O2
4-Chloro-2-methyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine dihydrochloride chemical structure, C9H14Cl3N3, CAS 2551117-52-1
4-Chloro-2-methyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine dihydrochloride
CAS 2551117-52-1C9H14Cl3N3