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

Systemtic Name: 2-fluoranyl-5-[[4-(5-methyl-3-propylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 2-fluoro-5-[[4-(5-methyl-3-propylsulfanyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 2-fluoro-5-[[4-[5-methyl-3-(propylthio)-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 2-fluoro-5-[[4-(5-methyl-3-propylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 2-fluoro-5-[[4-[5-methyl-3-(propylthio)isoxazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C18H16FN5OS MolecularWeight: 369.415943

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)F)C#N)C

Isomeric SMILES

CCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)F)C#N)C

InChI

InChI=1S/C18H16FN5OS/c1-3-8-26-17-16(11(2)25-24-17)15-6-7-21-18(23-15)22-13-4-5-14(19)12(9-13)10-20/h4-7,9H,3,8H2,1-2H3,(H,21,22,23)