6-ethyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(phenethylamino)ethyl]thio]pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-2-13-10-14(20)19-16(18-13)22-11-15(21)17-9-8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,17,21)(H,18,19,20)/p-1