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

Systemtic Name: 6-ethyl-5-methyl-2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-5-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-5-methyl-2-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-5-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]-5-methyl-pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C21H21N3O3S/c1-3-18-14(2)20(26)24-21(23-18)28-13-19(25)22-15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,24,26)/p-1