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

Systemtic Name: N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O2S/c1-14-3-9-18(10-4-14)28-21-19(11-25-28)22(24-13-23-21)31-12-20(30)27-17-7-5-16(6-8-17)26-15(2)29/h3-11,13H,12H2,1-2H3,(H,26,29)(H,27,30)