2-methylsulfanyl-6-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-methylsulfanyl-6-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-5-benzyl-2-methylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-(methylthio)-6-oxo-5-(phenylmethyl)-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 5-benzyl-2-methylsulfanyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-5-benzyl-6-keto-2-(methylthio)pyrimidin-4-olate Formula: C15H15N2O2S- MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1CC=C)[O-])CC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=O)C(=C(N1CC=C)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2S/c1-3-9-17-14(19)12(13(18)16-15(17)20-2)10-11-7-5-4-6-8-11/h3-8,19H,1,9-10H2,2H3/p-1