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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C19H16N3O3S- MolecularWeight: 366.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-13-11-17(23)22-19(20-13)26-12-18(24)21-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,21,24)(H,20,22,23)/p-1