6-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2S/c1-13-7-5-6-10-23(13)16(25)12-27-19-21-17-15(18(26)22-19)11-20-24(17)14-8-3-2-4-9-14/h2-4,8-9,11,13,20H,5-7,10,12H2,1H3