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

Systemtic Name: 2-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 6-ethyl-5-methyl-2-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-5-methyl-2-[[2-oxo-2-(N-phenylanilino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-5-methyl-2-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(N-phenylanilino)ethyl]thio]-5-methyl-pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)[O-])C

InChI

InChI=1S/C21H21N3O2S/c1-3-18-15(2)20(26)23-21(22-18)27-14-19(25)24(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3,(H,22,23,26)/p-1