2-[5-methyl-2-[(3-oxidanyl-1-phenyl-propyl)amino]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile

Systemtic Name: 2-[5-methyl-2-[(3-oxidanyl-1-phenyl-propyl)amino]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-[2-[(3-hydroxy-1-phenyl-propyl)amino]-5-methyl-pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile CAS Name: 2-[2-[(3-hydroxy-1-phenylpropyl)amino]-5-methyl-4-pyrimidinyl]-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-[2-[(3-hydroxy-1-phenylpropyl)amino]-5-methylpyrimidin-4-yl]-2-pyridin-2-ylacetonitrile Traditional Name: 2-[2-[(3-hydroxy-1-phenyl-propyl)amino]-5-methyl-pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NC(CCO)C3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NC(CCO)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O/c1-15-14-24-21(25-18(10-12-27)16-7-3-2-4-8-16)26-20(15)17(13-22)19-9-5-6-11-23-19/h2-9,11,14,17-18,27H,10,12H2,1H3,(H,24,25,26)