2-[4-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[[2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[[4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl]piperazino]benzonitrile Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CSC1=NC(=O)C=C(N1)CN2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H19N5OS/c1-24-17-19-14(10-16(23)20-17)12-21-6-8-22(9-7-21)15-5-3-2-4-13(15)11-18/h2-5,10H,6-9,12H2,1H3,(H,19,20,23)