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

Systemtic Name: 3-[[4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(5-methyl-3-methylsulfanyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[5-methyl-3-(methylthio)-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[5-methyl-3-(methylthio)isoxazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5OS/c1-10-14(15(23-2)21-22-10)13-6-7-18-16(20-13)19-12-5-3-4-11(8-12)9-17/h3-8H,1-2H3,(H,18,19,20)