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

Systemtic Name: 4-[[4-(3-butylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[4-(3-butylsulfanyl-5-methyl-isoxazol-4-yl)pyrimidin-2-yl]amino]-2-fluoro-benzonitrile CAS Name: 4-[[4-[3-(butylthio)-5-methyl-4-isoxazolyl]-2-pyrimidinyl]amino]-2-fluorobenzonitrile IUPAC Name: 4-[[4-(3-butylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]-2-fluorobenzonitrile Traditional Name: 4-[[4-[3-(butylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]amino]-2-fluoro-benzonitrile Formula: C19H18FN5OS MolecularWeight: 383.442523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C

Isomeric SMILES

CCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC(=C(C=C3)C#N)F)C

InChI

InChI=1S/C19H18FN5OS/c1-3-4-9-27-18-17(12(2)26-25-18)16-7-8-22-19(24-16)23-14-6-5-13(11-21)15(20)10-14/h5-8,10H,3-4,9H2,1-2H3,(H,22,23,24)