5-[2-(3-methylsulfanylphenyl)ethynyl]-2-piperidin-1-yl-pyrimidine

Systemtic Name: 5-[2-(3-methylsulfanylphenyl)ethynyl]-2-piperidin-1-yl-pyrimidine Openeye Name: 5-[2-(3-methylsulfanylphenyl)ethynyl]-2-(1-piperidyl)pyrimidine CAS Name: 5-[2-[3-(methylthio)phenyl]ethynyl]-2-(1-piperidinyl)pyrimidine IUPAC Name: 5-[2-(3-methylsulfanylphenyl)ethynyl]-2-piperidin-1-ylpyrimidine Traditional Name: 5-[2-[3-(methylthio)phenyl]ethynyl]-2-piperidino-pyrimidine Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C#CC2=CN=C(N=C2)N3CCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)C#CC2=CN=C(N=C2)N3CCCCC3

InChI

InChI=1S/C18H19N3S/c1-22-17-7-5-6-15(12-17)8-9-16-13-19-18(20-14-16)21-10-3-2-4-11-21/h5-7,12-14H,2-4,10-11H2,1H3