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

Systemtic Name: 1-(4-tert-butylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C19H22N4OS/c1-12(16(24)13-6-8-14(9-7-13)19(2,3)4)25-18-15-10-22-23(5)17(15)20-11-21-18/h6-12H,1-5H3