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

Systemtic Name: N-(4-bromophenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C20H16BrN5OS MolecularWeight: 454.34294

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN5OS/c1-13-2-8-16(9-3-13)26-19-17(10-24-26)20(23-12-22-19)28-11-18(27)25-15-6-4-14(21)5-7-15/h2-10,12H,11H2,1H3,(H,25,27)