2-(6-bromanylpyridin-2-yl)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(6-bromanylpyridin-2-yl)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(6-bromo-2-pyridyl)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(6-bromo-2-pyridinyl)-2-[5-methyl-2-[3-(1-pyrazolyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(6-bromopyridin-2-yl)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(6-bromo-2-pyridyl)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile Formula: C18H18BrN7 MolecularWeight: 412.28642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C(C#N)C2=NC(=CC=C2)Br)NCCCN3C=CC=N3

Isomeric SMILES

CC1=CN=C(N=C1C(C#N)C2=NC(=CC=C2)Br)NCCCN3C=CC=N3

InChI

InChI=1S/C18H18BrN7/c1-13-12-22-18(21-7-3-9-26-10-4-8-23-26)25-17(13)14(11-20)15-5-2-6-16(19)24-15/h2,4-6,8,10,12,14H,3,7,9H2,1H3,(H,21,22,25)