1-[[5-methyl-4-(2-phenylazanylpyrimidin-4-yl)-1,2-oxazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-methyl-4-(2-phenylazanylpyrimidin-4-yl)-1,2-oxazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]sulfanylpropan-2-one CAS Name: 1-[[4-(2-anilino-4-pyrimidinyl)-5-methyl-3-isoxazolyl]thio]-2-propanone IUPAC Name: 1-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-1,2-oxazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-isoxazol-3-yl]thio]acetone Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S/c1-11(22)10-24-16-15(12(2)23-21-16)14-8-9-18-17(20-14)19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19,20)