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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

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