2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-piperidino-ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H23N5OS/c27-18(25-11-5-2-6-12-25)14-28-21-17-13-22-26(16-7-3-1-4-8-16)20(17)23-19(24-21)15-9-10-15/h1,3-4,7-8,13,15H,2,5-6,9-12,14H2