8-[6-(5-bromanylpyridin-3-yl)-2-phenyl-pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

Systemtic Name: 8-[6-(5-bromanylpyridin-3-yl)-2-phenyl-pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[6-(5-bromo-3-pyridinyl)-2-phenyl-4-pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[6-(5-bromopyridin-3-yl)-2-phenylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=NC(=NC(=C3)C4=CC(=CN=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12OCCO2)C3=NC(=NC(=C3)C4=CC(=CN=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C22H21BrN4O2/c23-18-12-17(14-24-15-18)19-13-20(26-21(25-19)16-4-2-1-3-5-16)27-8-6-22(7-9-27)28-10-11-29-22/h1-5,12-15H,6-11H2