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

Systemtic Name: 2-fluoranyl-4-[[4-(5-methyl-3-pentylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 2-fluoro-4-[[4-(5-methyl-3-pentylsulfanyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 2-fluoro-4-[[4-[5-methyl-3-(pentylthio)-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 2-fluoro-4-[[4-(5-methyl-3-pentylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[3-(amylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]amino]-2-fluoro-benzonitrile Formula: C20H20FN5OS MolecularWeight: 397.469103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C

Isomeric SMILES

CCCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C

InChI

InChI=1S/C20H20FN5OS/c1-3-4-5-10-28-19-18(13(2)27-26-19)17-8-9-23-20(25-17)24-15-7-6-14(12-22)16(21)11-15/h6-9,11H,3-5,10H2,1-2H3,(H,23,24,25)