2-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H19ClN3O3S- MolecularWeight: 428.91186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H20ClN3O3S/c1-2-6-15-12-19(26)25-21(23-15)29-13-20(27)24-17-11-14(22)9-10-18(17)28-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13H2,1H3,(H,24,27)(H,23,25,26)/p-1