4-(3-but-2-ynylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-(3-but-2-ynylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-but-2-ynylsulfanyl-5-methyl-isoxazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[3-(but-2-ynylthio)-5-methyl-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(3-but-2-ynylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(but-2-ynylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C18H16N4OS MolecularWeight: 336.41084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C

Isomeric SMILES

CC#CCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C

InChI

InChI=1S/C18H16N4OS/c1-3-4-12-24-17-16(13(2)23-22-17)15-10-11-19-18(21-15)20-14-8-6-5-7-9-14/h5-11H,12H2,1-2H3,(H,19,20,21)