4-[2-methyl-4-[2-(2-methylpyridin-4-yl)ethynyl]imidazol-1-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[2-methyl-4-[2-(2-methylpyridin-4-yl)ethynyl]imidazol-1-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[2-methyl-4-[2-(2-methyl-4-pyridyl)ethynyl]imidazol-1-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]-1-imidazolyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[2-methyl-4-[2-(2-methylpyridin-4-yl)ethynyl]imidazol-1-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[2-methyl-4-[2-(2-methyl-4-pyridyl)ethynyl]imidazol-1-yl]-2-(methylthio)pyrimidine Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C#CC2=CN(C(=N2)C)C3=NC(=NC=C3)SC

Isomeric SMILES

CC1=NC=CC(=C1)C#CC2=CN(C(=N2)C)C3=NC(=NC=C3)SC

InChI

InChI=1S/C17H15N5S/c1-12-10-14(6-8-18-12)4-5-15-11-22(13(2)20-15)16-7-9-19-17(21-16)23-3/h6-11H,1-3H3