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

Systemtic Name: 6-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H25N5O2S/c1-3-15-6-4-5-11-25(15)18(27)13-29-21-23-19-17(20(28)24-21)12-22-26(19)16-9-7-14(2)8-10-16/h7-10,12,15,22H,3-6,11,13H2,1-2H3