(6E)-2-butan-2-ylsulfanyl-5,5-dimethyl-6-(phenylmethylidene)-1H-pyrimidin-4-one

Systemtic Name: (6E)-2-butan-2-ylsulfanyl-5,5-dimethyl-6-(phenylmethylidene)-1H-pyrimidin-4-one Openeye Name: (6E)-6-benzylidene-5,5-dimethyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: (6E)-2-(butan-2-ylthio)-5,5-dimethyl-6-(phenylmethylene)-1H-pyrimidin-4-one IUPAC Name: (6E)-6-benzylidene-2-butan-2-ylsulfanyl-5,5-dimethyl-1H-pyrimidin-4-one Traditional Name: (6E)-6-benzal-5,5-dimethyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(C(=CC2=CC=CC=C2)N1)(C)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(/C(=C\C2=CC=CC=C2)/N1)(C)C

InChI

InChI=1S/C17H22N2OS/c1-5-12(2)21-16-18-14(17(3,4)15(20)19-16)11-13-9-7-6-8-10-13/h6-12H,5H2,1-4H3,(H,18,19,20)/b14-11+