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

Systemtic Name: 6-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-4-one Formula: C12H10F3N3OS MolecularWeight: 301.28751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H10F3N3OS/c13-12(14,15)8-3-1-2-7(4-8)6-20-11-17-9(16)5-10(19)18-11/h1-5H,6H2,(H3,16,17,18,19)