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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]propanamide Traditional Name: 3-besyl-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]propionamide Formula: C22H28N6O3S2 MolecularWeight: 488.62612

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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)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CCS(=O)(=O)C3=CC=CC=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C22H28N6O3S2/c1-2-32-22-25-20(27-12-6-7-13-27)18-16-24-28(21(18)26-22)14-11-23-19(29)10-15-33(30,31)17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H,23,29)