2-[[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C19H18FN4O2S2- MolecularWeight: 417.500223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C)[O-]

InChI

InChI=1S/C19H19FN4O2S2/c1-3-6-13-9-17(26)23-18(21-13)27-10-14-11-28-19(22-14)24(12(2)25)16-8-5-4-7-15(16)20/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,21,23,26)/p-1