2-(phenylmethylsulfanyl)-3-prop-2-enyl-pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-3-prop-2-enyl-pyrimidin-4-one Openeye Name: 3-allyl-2-benzylsulfanyl-pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-3-prop-2-enyl-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-prop-2-enylpyrimidin-4-one Traditional Name: 3-allyl-2-(benzylthio)pyrimidin-4-one Formula: C14H14N2OS MolecularWeight: 258.33876

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C=CN=C1SCC2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=O)C=CN=C1SCC2=CC=CC=C2

InChI

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