2-[5-methyl-2-(oxan-4-ylmethylamino)pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile

Systemtic Name: 2-[5-methyl-2-(oxan-4-ylmethylamino)pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-[5-methyl-2-(tetrahydropyran-4-ylmethylamino)pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile CAS Name: 2-[5-methyl-2-(4-oxanylmethylamino)-4-pyrimidinyl]-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-[5-methyl-2-(oxan-4-ylmethylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile Traditional Name: 2-[5-methyl-2-(tetrahydropyran-4-ylmethylamino)pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NCC3CCOCC3

Isomeric SMILES

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NCC3CCOCC3

InChI

InChI=1S/C18H21N5O/c1-13-11-21-18(22-12-14-5-8-24-9-6-14)23-17(13)15(10-19)16-4-2-3-7-20-16/h2-4,7,11,14-15H,5-6,8-9,12H2,1H3,(H,21,22,23)