N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]propanamide Traditional Name: 3-besyl-N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propionamide Formula: C23H30N6O3S2 MolecularWeight: 502.6527

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CCS(=O)(=O)C3=CC=CC=C3)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CCS(=O)(=O)C3=CC=CC=C3)C(=N1)N4CCCCC4

InChI

InChI=1S/C23H30N6O3S2/c1-2-33-23-26-21(28-13-7-4-8-14-28)19-17-25-29(22(19)27-23)15-12-24-20(30)11-16-34(31,32)18-9-5-3-6-10-18/h3,5-6,9-10,17H,2,4,7-8,11-16H2,1H3,(H,24,30)