2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C12H10F3N3OS/c1-6-4-10(19)18-11(17-6)20-9-3-2-7(5-8(9)16)12(13,14)15/h2-5H,16H2,1H3,(H,17,18,19)