2-[(4-aminophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-aminophenyl)methylthio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4-aminobenzyl)thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C12H10F3N3OS MolecularWeight: 301.28751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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