6-azanyl-2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(3,4-difluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(3,4-difluorophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(3,4-difluorophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(3,4-difluorobenzyl)thio]-1H-pyrimidin-4-one Formula: C11H9F2N3OS MolecularWeight: 269.270466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC(=O)C=C(N2)N)F)F

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC(=O)C=C(N2)N)F)F

InChI

InChI=1S/C11H9F2N3OS/c12-7-2-1-6(3-8(7)13)5-18-11-15-9(14)4-10(17)16-11/h1-4H,5H2,(H3,14,15,16,17)