4-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C19H24N5S+ MolecularWeight: 354.49236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H23N5S/c1-23-11-6-5-7-15(23)10-12-25-19-17-13-22-24(18(17)20-14-21-19)16-8-3-2-4-9-16/h2-4,8-9,13-15H,5-7,10-12H2,1H3/p+1/t15-/m0/s1