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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C18H19N5OS/c1-22-16-14(11-21-22)17(20-12-19-16)25-15(13-7-3-2-4-8-13)18(24)23-9-5-6-10-23/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3