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

Systemtic Name: 1-phenyl-1-(pyrimidin-4-ylmethylsulfanyl)propan-2-one Openeye Name: 1-phenyl-1-(pyrimidin-4-ylmethylsulfanyl)propan-2-one CAS Name: 1-phenyl-1-(4-pyrimidinylmethylthio)-2-propanone IUPAC Name: 1-phenyl-1-(pyrimidin-4-ylmethylsulfanyl)propan-2-one Traditional Name: 1-phenyl-1-(4-pyrimidylmethylthio)acetone Formula: C14H14N2OS MolecularWeight: 258.33876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)SCC2=NC=NC=C2

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)SCC2=NC=NC=C2

InChI

InChI=1S/C14H14N2OS/c1-11(17)14(12-5-3-2-4-6-12)18-9-13-7-8-15-10-16-13/h2-8,10,14H,9H2,1H3