[4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H21N5OS/c29-23(27-12-4-5-13-27)18-10-8-17(9-11-18)15-30-22-20-14-26-28(21(20)24-16-25-22)19-6-2-1-3-7-19/h1-3,6-11,14,16H,4-5,12-13,15H2