2-(3-bromanylpyridin-2-yl)-2-[5-methyl-2-[3-(3-oxidanylidenemorpholin-4-yl)propylamino]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(3-bromanylpyridin-2-yl)-2-[5-methyl-2-[3-(3-oxidanylidenemorpholin-4-yl)propylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(3-bromo-2-pyridyl)-2-[5-methyl-2-[3-(3-oxomorpholin-4-yl)propylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(3-bromo-2-pyridinyl)-2-[5-methyl-2-[3-(3-oxo-4-morpholinyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(3-bromopyridin-2-yl)-2-[5-methyl-2-[3-(3-oxomorpholin-4-yl)propylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(3-bromo-2-pyridyl)-2-[2-[3-(3-ketomorpholino)propylamino]-5-methyl-pyrimidin-4-yl]acetonitrile Formula: C19H21BrN6O2 MolecularWeight: 445.31304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C(C#N)C2=C(C=CC=N2)Br)NCCCN3CCOCC3=O

Isomeric SMILES

CC1=CN=C(N=C1C(C#N)C2=C(C=CC=N2)Br)NCCCN3CCOCC3=O

InChI

InChI=1S/C19H21BrN6O2/c1-13-11-24-19(23-6-3-7-26-8-9-28-12-16(26)27)25-17(13)14(10-21)18-15(20)4-2-5-22-18/h2,4-5,11,14H,3,6-9,12H2,1H3,(H,23,24,25)