N-(2-phenylphenyl)-2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-phenylphenyl)-2-(1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: 2-(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-phenylphenyl)acetamide CAS Name: N-(2-phenylphenyl)-2-[(1-phenyl-6-propan-2-yl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-phenylphenyl)-2-(1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(2-phenylphenyl)acetamide Formula: C28H25N5OS MolecularWeight: 479.596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C28H25N5OS/c1-19(2)26-31-27-23(17-29-33(27)21-13-7-4-8-14-21)28(32-26)35-18-25(34)30-24-16-10-9-15-22(24)20-11-5-3-6-12-20/h3-17,19H,18H2,1-2H3,(H,30,34)