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

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-phenyl-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-phenylacetamide IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenylacetamide Traditional Name: N-phenyl-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C20H17N5OS MolecularWeight: 375.44688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5OS/c1-14-7-9-16(10-8-14)25-19-17(11-23-25)20(22-13-21-19)27-12-18(26)24-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,24,26)