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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]propanamide Traditional Name: 3-besyl-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propionamide Formula: C21H26N6O3S2 MolecularWeight: 474.59954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)CCS(=O)(=O)C3=CC=CC=C3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)CCS(=O)(=O)C3=CC=CC=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C21H26N6O3S2/c1-31-21-24-19(26-11-5-6-12-26)17-15-23-27(20(17)25-21)13-10-22-18(28)9-14-32(29,30)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,22,28)