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

Systemtic Name: 6-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-[(2S)-2-ethylpiperidino]-2-keto-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:

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

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2S/c1-2-14-8-6-7-11-24(14)17(26)13-28-20-22-18-16(19(27)23-20)12-21-25(18)15-9-4-3-5-10-15/h3-5,9-10,12,14,21H,2,6-8,11,13H2,1H3/t14-/m0/s1