3-ethyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]-2-phenacylsulfanyl-pyrimidin-4-olate

Systemtic Name: 3-ethyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]-2-phenacylsulfanyl-pyrimidin-4-olate Openeye Name: 3-ethyl-5-[(1S)-1-methylbutyl]-6-oxo-2-phenacylsulfanyl-pyrimidin-4-olate CAS Name: 3-ethyl-6-oxo-5-[(2S)-pentan-2-yl]-2-(phenacylthio)-4-pyrimidinolate IUPAC Name: 3-ethyl-6-oxo-5-[(2S)-pentan-2-yl]-2-phenacylsulfanylpyrimidin-4-olate Traditional Name: 3-ethyl-6-keto-5-[(1S)-1-methylbutyl]-2-(phenacylthio)pyrimidin-4-olate Formula: C19H23N2O3S- MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)CC)[O-]

Isomeric SMILES

CCC[C@H](C)C1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)CC)[O-]

InChI

InChI=1S/C19H24N2O3S/c1-4-9-13(3)16-17(23)20-19(21(5-2)18(16)24)25-12-15(22)14-10-7-6-8-11-14/h6-8,10-11,13,24H,4-5,9,12H2,1-3H3/p-1/t13-/m0/s1