(4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[3,4,5-tris(fluoranyl)-2-methoxy-phenyl]methanone

Systemtic Name: (4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[3,4,5-tris(fluoranyl)-2-methoxy-phenyl]methanone Openeye Name: (4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-(3,4,5-trifluoro-2-methoxy-phenyl)methanone CAS Name: [4-amino-2-(ethylthio)-5-pyrimidinyl]-(3,4,5-trifluoro-2-methoxyphenyl)methanone IUPAC Name: (4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone Traditional Name: [4-amino-2-(ethylthio)pyrimidin-5-yl]-(3,4,5-trifluoro-2-methoxy-phenyl)methanone Formula: C14H12F3N3O2S MolecularWeight: 343.32419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)N)C(=O)C2=CC(=C(C(=C2OC)F)F)F

Isomeric SMILES

CCSC1=NC=C(C(=N1)N)C(=O)C2=CC(=C(C(=C2OC)F)F)F

InChI

InChI=1S/C14H12F3N3O2S/c1-3-23-14-19-5-7(13(18)20-14)11(21)6-4-8(15)9(16)10(17)12(6)22-2/h4-5H,3H2,1-2H3,(H2,18,19,20)