2-[[4-[2,4-bis(fluoranyl)phenoxy]carbonylphenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-[2,4-bis(fluoranyl)phenoxy]carbonylphenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[4-(2,4-difluorophenoxy)carbonylphenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[4-[(2,4-difluorophenoxy)-oxomethyl]phenyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[4-(2,4-difluorophenoxy)carbonylphenyl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[4-(2,4-difluorophenoxy)carbonylbenzyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H17F2N2O3S- MolecularWeight: 415.433086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)F)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)F)F)[O-]

InChI

InChI=1S/C21H18F2N2O3S/c1-2-3-16-11-19(26)25-21(24-16)29-12-13-4-6-14(7-5-13)20(27)28-18-9-8-15(22)10-17(18)23/h4-11H,2-3,12H2,1H3,(H,24,25,26)/p-1