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

Systemtic Name: 6-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]-1-phenyl-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)C(C)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

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