2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H19N5OS2/c27-19(25-10-4-8-17(25)18-9-5-11-28-18)13-29-21-16-12-24-26(20(16)22-14-23-21)15-6-2-1-3-7-15/h1-3,5-7,9,11-12,14,17H,4,8,10,13H2