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

Systemtic Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-methyl-4-[[4-[5-methyl-3-(methylthio)-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-methyl-4-[[4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-methyl-4-[[4-[5-methyl-3-(methylthio)isoxazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)NC2=NC=CC(=N2)C3=C(ON=C3SC)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)NC2=NC=CC(=N2)C3=C(ON=C3SC)C

InChI

InChI=1S/C17H15N5OS/c1-10-8-12(9-18)4-5-13(10)20-17-19-7-6-14(21-17)15-11(2)23-22-16(15)24-3/h4-8H,1-3H3,(H,19,20,21)