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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C19H21N5OS/c1-23-17-15(12-22-23)18(21-13-20-17)26-16(14-8-4-2-5-9-14)19(25)24-10-6-3-7-11-24/h2,4-5,8-9,12-13,16H,3,6-7,10-11H2,1H3