2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-phenoxyphenyl)ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide Traditional Name: N-(4-phenoxyphenyl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C26H21N5O2S MolecularWeight: 467.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O2S/c1-18-7-11-20(12-8-18)31-25-23(15-29-31)26(28-17-27-25)34-16-24(32)30-19-9-13-22(14-10-19)33-21-5-3-2-4-6-21/h2-15,17H,16H2,1H3,(H,30,32)