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

Systemtic Name: 4-[5-methyl-3-(1-phenylethylsulfanyl)-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[5-methyl-3-(1-phenylethylsulfanyl)isoxazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(1-phenylethylthio)-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[5-methyl-3-(1-phenylethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-3-(1-phenylethylthio)isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SC(C)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)SC(C)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-15-20(21(26-27-15)28-16(2)17-9-5-3-6-10-17)19-13-14-23-22(25-19)24-18-11-7-4-8-12-18/h3-14,16H,1-2H3,(H,23,24,25)