1-phenyl-1-(2-pyrimidin-4-ylethylsulfanyl)propan-2-one

Systemtic Name: 1-phenyl-1-(2-pyrimidin-4-ylethylsulfanyl)propan-2-one Openeye Name: 1-phenyl-1-(2-pyrimidin-4-ylethylsulfanyl)propan-2-one CAS Name: 1-phenyl-1-[2-(4-pyrimidinyl)ethylthio]-2-propanone IUPAC Name: 1-phenyl-1-(2-pyrimidin-4-ylethylsulfanyl)propan-2-one Traditional Name: 1-phenyl-1-[2-(4-pyrimidyl)ethylthio]acetone Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)SCCC2=NC=NC=C2

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)SCCC2=NC=NC=C2

InChI

InChI=1S/C15H16N2OS/c1-12(18)15(13-5-3-2-4-6-13)19-10-8-14-7-9-16-11-17-14/h2-7,9,11,15H,8,10H2,1H3