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

Systemtic Name: 1-(4-methylphenyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-13-3-5-15(6-4-13)25-18-16(11-21-25)19(27)23-20(22-18)28-12-17(26)24-9-7-14(2)8-10-24/h3-6,11,14,21H,7-10,12H2,1-2H3