1-[5-methyl-1-phenyl-4-(2-phenylazanylpyrimidin-4-yl)pyrazol-3-yl]sulfanylpropan-2-one

Systemtic Name: 1-[5-methyl-1-phenyl-4-(2-phenylazanylpyrimidin-4-yl)pyrazol-3-yl]sulfanylpropan-2-one Openeye Name: 1-[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenyl-pyrazol-3-yl]sulfanylpropan-2-one CAS Name: 1-[[4-(2-anilino-4-pyrimidinyl)-5-methyl-1-phenyl-3-pyrazolyl]thio]-2-propanone IUPAC Name: 1-[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenylpyrazol-3-yl]sulfanylpropan-2-one Traditional Name: 1-[[4-(2-anilinopyrimidin-4-yl)-5-methyl-1-phenyl-pyrazol-3-yl]thio]acetone Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SCC(=O)C)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SCC(=O)C)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N5OS/c1-16(29)15-30-22-21(17(2)28(27-22)19-11-7-4-8-12-19)20-13-14-24-23(26-20)25-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3,(H,24,25,26)