2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H20N4OS/c1-14-9-16(3)18(10-15(14)2)20(27)12-28-22-19-11-25-26(21(19)23-13-24-22)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3