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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC=C4

InChI

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