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

Systemtic Name: 4-[5-methyl-3-(2-methylpropylsulfanyl)-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-isobutylsulfanyl-5-methyl-isoxazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(2-methylpropylthio)-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[5-methyl-3-(2-methylpropylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(isobutylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C18H20N4OS MolecularWeight: 340.4426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SCC(C)C)C2=NC(=NC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)SCC(C)C)C2=NC(=NC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H20N4OS/c1-12(2)11-24-17-16(13(3)23-22-17)15-9-10-19-18(21-15)20-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,19,20,21)