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

Systemtic Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-(3-ethylsulfanyl-5-methyl-isoxazol-4-yl)pyrimidin-2-yl]amino]-2-fluoro-benzonitrile CAS Name: 4-[[4-[3-(ethylthio)-5-methyl-4-isoxazolyl]-2-pyrimidinyl]amino]-2-fluorobenzonitrile IUPAC Name: 4-[[4-(3-ethylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]-2-fluorobenzonitrile Traditional Name: 4-[[4-[3-(ethylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]amino]-2-fluoro-benzonitrile Formula: C17H14FN5OS MolecularWeight: 355.389363

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C

Isomeric SMILES

CCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C

InChI

InChI=1S/C17H14FN5OS/c1-3-25-16-15(10(2)24-23-16)14-6-7-20-17(22-14)21-12-5-4-11(9-19)13(18)8-12/h4-8H,3H2,1-2H3,(H,20,21,22)