5-ethyl-6-oxidanylidene-2-(phenylmethylsulfanyl)-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-oxidanylidene-2-(phenylmethylsulfanyl)-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-2-benzylsulfanyl-5-ethyl-6-oxo-pyrimidin-4-olate CAS Name: 5-ethyl-6-oxo-2-(phenylmethylthio)-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-ethyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-2-(benzylthio)-5-ethyl-6-keto-pyrimidin-4-olate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC2=CC=CC=C2)CC=C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC2=CC=CC=C2)CC=C)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-3-10-18-15(20)13(4-2)14(19)17-16(18)21-11-12-8-6-5-7-9-12/h3,5-9,20H,1,4,10-11H2,2H3/p-1