N-[4-(2-azanylethynyl)-2-methyl-phenyl]-4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-[4-(2-azanylethynyl)-2-methyl-phenyl]-4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-amine Openeye Name: N-[4-(2-aminoethynyl)-2-methyl-phenyl]-4-(5-methyl-3-methylsulfanyl-isoxazol-4-yl)pyrimidin-2-amine CAS Name: N-[4-(2-aminoethynyl)-2-methylphenyl]-4-[5-methyl-3-(methylthio)-4-isoxazolyl]-2-pyrimidinamine IUPAC Name: N-[4-(2-aminoethynyl)-2-methylphenyl]-4-(5-methyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-amine Traditional Name: [4-(2-aminoethynyl)-2-methyl-phenyl]-[4-[5-methyl-3-(methylthio)isoxazol-4-yl]pyrimidin-2-yl]amine Formula: C18H17N5OS MolecularWeight: 351.42548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5OS/c1-11-10-13(6-8-19)4-5-14(11)21-18-20-9-7-15(22-18)16-12(2)24-23-17(16)25-3/h4-5,7,9-10H,19H2,1-3H3,(H,20,21,22)