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

Systemtic Name: 1-(4-tert-butylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-18(2,3)13-7-5-12(6-8-13)15(23)10-24-17-14-9-21-22(4)16(14)19-11-20-17/h5-9,11H,10H2,1-4H3