1-[2-phenyl-6-(4-propylsulfanyl-6-pyridin-2-yl-pyridin-2-yl)pyrimidin-4-yl]ethanone

Systemtic Name: 1-[2-phenyl-6-(4-propylsulfanyl-6-pyridin-2-yl-pyridin-2-yl)pyrimidin-4-yl]ethanone Openeye Name: 1-[2-phenyl-6-[4-propylsulfanyl-6-(2-pyridyl)-2-pyridyl]pyrimidin-4-yl]ethanone CAS Name: 1-[2-phenyl-6-[4-(propylthio)-6-(2-pyridinyl)-2-pyridinyl]-4-pyrimidinyl]ethanone IUPAC Name: 1-[2-phenyl-6-(4-propylsulfanyl-6-pyridin-2-ylpyridin-2-yl)pyrimidin-4-yl]ethanone Traditional Name: 1-[2-phenyl-6-[4-(propylthio)-6-(2-pyridyl)-2-pyridyl]pyrimidin-4-yl]ethanone Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=NC(=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C(=O)C)C4=CC=CC=N4

Isomeric SMILES

CCCSC1=CC(=NC(=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C(=O)C)C4=CC=CC=N4

InChI

InChI=1S/C25H22N4OS/c1-3-13-31-19-14-22(20-11-7-8-12-26-20)27-23(15-19)24-16-21(17(2)30)28-25(29-24)18-9-5-4-6-10-18/h4-12,14-16H,3,13H2,1-2H3