(4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-(3-fluoranyl-4-methoxy-phenyl)methanone

Systemtic Name: (4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-(3-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: (4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-(3-fluoro-4-methoxy-phenyl)methanone CAS Name: [4-amino-2-(ethylthio)-5-pyrimidinyl]-(3-fluoro-4-methoxyphenyl)methanone IUPAC Name: (4-amino-2-ethylsulfanylpyrimidin-5-yl)-(3-fluoro-4-methoxyphenyl)methanone Traditional Name: [4-amino-2-(ethylthio)pyrimidin-5-yl]-(3-fluoro-4-methoxy-phenyl)methanone Formula: C14H14FN3O2S MolecularWeight: 307.343263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14FN3O2S/c1-3-21-14-17-7-9(13(16)18-14)12(19)8-4-5-11(20-2)10(15)6-8/h4-7H,3H2,1-2H3,(H2,16,17,18)