6-azanyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-[3-(trifluoromethyl)phenoxy]ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-[3-(trifluoromethyl)phenoxy]ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[2-[3-(trifluoromethyl)phenoxy]ethylthio]-1H-pyrimidin-4-one Formula: C13H12F3N3O2S MolecularWeight: 331.31349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=NC(=O)C=C(N2)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=NC(=O)C=C(N2)N)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2S/c14-13(15,16)8-2-1-3-9(6-8)21-4-5-22-12-18-10(17)7-11(20)19-12/h1-3,6-7H,4-5H2,(H3,17,18,19,20)