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

Systemtic Name: 4-[5-methyl-3-(phenylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-(3-benzylsulfanyl-5-methyl-isoxazol-4-yl)-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(phenylmethylthio)-4-isoxazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(3-benzylsulfanyl-5-methyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(benzylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)SCC2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)SCC2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS/c1-15-19(20(25-26-15)27-14-16-8-4-2-5-9-16)18-12-13-22-21(24-18)23-17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,22,23,24)