2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C22H23N7OS MolecularWeight: 433.52932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H23N7OS/c1-13-19(14(2)28(3)27-13)24-18(30)12-31-22-17-11-23-29(16-7-5-4-6-8-16)21(17)25-20(26-22)15-9-10-15/h4-8,11,15H,9-10,12H2,1-3H3,(H,24,30)