(2R)-2-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-isoquinolin-3-yl-ethanenitrile

Systemtic Name: (2R)-2-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-isoquinolin-3-yl-ethanenitrile Openeye Name: (2R)-2-(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)-2-(3-isoquinolyl)acetonitrile CAS Name: (2R)-2-[6-chloro-2-(methylthio)-4-pyrimidinyl]-2-(3-isoquinolinyl)acetonitrile IUPAC Name: (2R)-2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-2-isoquinolin-3-ylacetonitrile Traditional Name: (2R)-2-[6-chloro-2-(methylthio)pyrimidin-4-yl]-2-(3-isoquinolyl)acetonitrile Formula: C16H11ClN4S MolecularWeight: 326.80334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)Cl)C(C#N)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CSC1=NC(=CC(=N1)Cl)[C@H](C#N)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C16H11ClN4S/c1-22-16-20-14(7-15(17)21-16)12(8-18)13-6-10-4-2-3-5-11(10)9-19-13/h2-7,9,12H,1H3/t12-/m1/s1