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

Systemtic Name: (6E)-5,5-dimethyl-2-(2-methylpropylsulfanyl)-6-(phenylmethylidene)-1H-pyrimidin-4-one Openeye Name: (6E)-6-benzylidene-2-isobutylsulfanyl-5,5-dimethyl-1H-pyrimidin-4-one CAS Name: (6E)-5,5-dimethyl-2-(2-methylpropylthio)-6-(phenylmethylene)-1H-pyrimidin-4-one IUPAC Name: (6E)-6-benzylidene-5,5-dimethyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: (6E)-6-benzal-2-(isobutylthio)-5,5-dimethyl-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=O)C(C(=CC2=CC=CC=C2)N1)(C)C

Isomeric SMILES

CC(C)CSC1=NC(=O)C(/C(=C\C2=CC=CC=C2)/N1)(C)C

InChI

InChI=1S/C17H22N2OS/c1-12(2)11-21-16-18-14(17(3,4)15(20)19-16)10-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3,(H,18,19,20)/b14-10+