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

Systemtic Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-pyrrolidino-ethanone Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C20H21N5OS/c26-17(24-10-4-5-11-24)13-27-20-16-12-21-25(15-6-2-1-3-7-15)19(16)22-18(23-20)14-8-9-14/h1-3,6-7,12,14H,4-5,8-11,13H2