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

Systemtic Name: 1-(3,4-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS/c1-10-4-5-12(6-11(10)2)14(21)8-22-16-13-7-19-20(3)15(13)17-9-18-16/h4-7,9H,8H2,1-3H3