6-oxidanylidene-2-phenacylsulfanyl-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 6-oxidanylidene-2-phenacylsulfanyl-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-6-oxo-2-phenacylsulfanyl-pyrimidin-4-olate CAS Name: 6-oxo-2-(phenacylthio)-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 6-oxo-2-phenacylsulfanyl-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-6-keto-2-(phenacylthio)pyrimidin-4-olate Formula: C15H13N2O3S- MolecularWeight: 301.34032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H14N2O3S/c1-2-8-17-14(20)9-13(19)16-15(17)21-10-12(18)11-6-4-3-5-7-11/h2-7,9,20H,1,8,10H2/p-1