2-[[4-[azaniumylidene(azanyl)methyl]-2-fluoranyl-phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[[4-[azaniumylidene(azanyl)methyl]-2-fluoranyl-phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[[4-[amino(azaniumylidene)methyl]-2-fluoro-phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[4-[amino(iminio)methyl]-2-fluorophenyl]methylthio]-4-pyrimidinolate IUPAC Name: 2-[[4-[amino(azaniumylidene)methyl]-2-fluorophenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[[4-[amino(iminio)methyl]-2-fluoro-benzyl]thio]pyrimidin-4-olate Formula: C12H11FN4OS MolecularWeight: 278.305343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=[NH2+])N)F)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=[NH2+])N)F)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C12H11FN4OS/c13-9-5-7(11(14)15)1-2-8(9)6-19-12-16-4-3-10(18)17-12/h1-5H,6H2,(H3,14,15)(H,16,17,18)