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

Systemtic Name: N-(4-methylphenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(p-tolyl)-2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-methylphenyl)-2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(p-tolyl)-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)C

InChI

InChI=1S/C21H19N5OS/c1-14-3-7-16(8-4-14)25-19(27)12-28-21-18-11-24-26(20(18)22-13-23-21)17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3,(H,25,27)