2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide

Systemtic Name: 2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide Openeye Name: 2-[5-cyano-2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]cyclopropanecarboxamide CAS Name: 2-[5-cyano-2-[(2,3-difluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 2-[5-cyano-2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide Traditional Name: 2-[5-cyano-2-[(2,3-difluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]cyclopropanecarboxamide Formula: C16H12F2N4O2S MolecularWeight: 362.353886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)N)C2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

Isomeric SMILES

C1C(C1C(=O)N)C2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

InChI

InChI=1S/C16H12F2N4O2S/c17-11-3-1-2-7(12(11)18)6-25-16-21-13(8-4-9(8)14(20)23)10(5-19)15(24)22-16/h1-3,8-9H,4,6H2,(H2,20,23)(H,21,22,24)