2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-mesityl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC=NC3=C2C=NN3C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC=NC3=C2C=NN3C)C

InChI

InChI=1S/C17H18N4OS/c1-10-5-11(2)15(12(3)6-10)14(22)8-23-17-13-7-20-21(4)16(13)18-9-19-17/h5-7,9H,8H2,1-4H3