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

Systemtic Name: 4-(5-methyl-3-octylsulfanyl-1,2-oxazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(5-methyl-3-octylsulfanyl-isoxazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(octylthio)-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(5-methyl-3-octylsulfanyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-3-(octylthio)isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4OS/c1-3-4-5-6-7-11-16-28-21-20(17(2)27-26-21)19-14-15-23-22(25-19)24-18-12-9-8-10-13-18/h8-10,12-15H,3-7,11,16H2,1-2H3,(H,23,24,25)