4-fluoranyl-3-[[4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-(5-methyl-3-methylsulfanyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-fluoro-3-[[4-[5-methyl-3-(methylthio)-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-fluoro-3-[[4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-fluoro-3-[[4-[5-methyl-3-(methylthio)isoxazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C16H12FN5OS MolecularWeight: 341.362783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SC)C2=NC(=NC=C2)NC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC1=C(C(=NO1)SC)C2=NC(=NC=C2)NC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C16H12FN5OS/c1-9-14(15(24-2)22-23-9)12-5-6-19-16(20-12)21-13-7-10(8-18)3-4-11(13)17/h3-7H,1-2H3,(H,19,20,21)