N-(2-phenylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-phenylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-phenylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-phenylpropyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-phenylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-phenylpropyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C23H23N5OS MolecularWeight: 417.52662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)C(C)SC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-16(18-9-5-3-6-10-18)13-24-22(29)17(2)30-23-20-14-27-28(21(20)25-15-26-23)19-11-7-4-8-12-19/h3-12,14-17H,13H2,1-2H3,(H,24,29)