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

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-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-phenyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenylacetamide Traditional Name: N-benzyl-N-phenyl-2-[[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C27H23N5OS MolecularWeight: 465.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5OS/c1-20-12-14-23(15-13-20)32-26-24(16-30-32)27(29-19-28-26)34-18-25(33)31(22-10-6-3-7-11-22)17-21-8-4-2-5-9-21/h2-16,19H,17-18H2,1H3