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

Systemtic Name: 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diphenyl-ethanamide Openeye Name: 2-[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diphenyl-acetamide CAS Name: 2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diphenylacetamide Traditional Name: 2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N,N-diphenyl-acetamide Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5OS/c1-19-10-8-9-15-23(19)31-25-22(16-29-31)26(28-18-27-25)33-17-24(32)30(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-16,18H,17H2,1H3