6-(tert-butylsulfanylmethyl)-2-thiophen-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-(tert-butylsulfanylmethyl)-2-thiophen-2-yl-1H-pyrimidin-4-one Openeye Name: 6-(tert-butylsulfanylmethyl)-2-(2-thienyl)-1H-pyrimidin-4-one CAS Name: 6-[(tert-butylthio)methyl]-2-thiophen-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-(tert-butylsulfanylmethyl)-2-thiophen-2-yl-1H-pyrimidin-4-one Traditional Name: 6-[(tert-butylthio)methyl]-2-(2-thienyl)-1H-pyrimidin-4-one Formula: C13H16N2OS2 MolecularWeight: 280.40894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC(=O)N=C(N1)C2=CC=CS2

Isomeric SMILES

CC(C)(C)SCC1=CC(=O)N=C(N1)C2=CC=CS2

InChI

InChI=1S/C13H16N2OS2/c1-13(2,3)18-8-9-7-11(16)15-12(14-9)10-5-4-6-17-10/h4-7H,8H2,1-3H3,(H,14,15,16)