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

Systemtic Name: 5-ethyl-6-methyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-ethyl-6-methyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 5-ethyl-6-methyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-keto-2-(phenethylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C17H21N3O2S/c1-3-14-12(2)19-17(20-16(14)22)23-11-15(21)18-10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,21)(H,19,20,22)/p-1