(2E)-2-(6-bromanyl-1H-pyridin-2-ylidene)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: (2E)-2-(6-bromanyl-1H-pyridin-2-ylidene)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2E)-2-(6-bromo-1H-pyridin-2-ylidene)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2E)-2-(6-bromo-1H-pyridin-2-ylidene)-2-[5-methyl-2-[3-(1-pyrazolyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: (2E)-2-(6-bromo-1H-pyridin-2-ylidene)-2-[5-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2E)-2-(6-bromo-1H-pyridin-2-ylidene)-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(=C2C=CC=C(N2)Br)C#N)NCCCN3C=CC=N3

Isomeric SMILES

CC1=CN=C(N=C1/C(=C\2/C=CC=C(N2)Br)/C#N)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/h2,4-6,8,10,12,24H,3,7,9H2,1H3,(H,21,22,25)/b15-14-