2-[3-[(4-chloranyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[3-[(4-chloranyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[3-(4-chloro-2-fluoro-anilino)-3-oxo-propyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[3-(4-chloro-2-fluoro-anilino)-3-keto-propyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H16ClFN3O2S- MolecularWeight: 368.833543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCC(=O)NC2=C(C=C(C=C2)Cl)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCC(=O)NC2=C(C=C(C=C2)Cl)F)[O-]

InChI

InChI=1S/C16H17ClFN3O2S/c1-2-3-11-9-15(23)21-16(19-11)24-7-6-14(22)20-13-5-4-10(17)8-12(13)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,20,22)(H,19,21,23)/p-1