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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(phenylthio)propionamide Formula: C22H28N6OS2 MolecularWeight: 456.62732

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CCSC3=CC=CC=C3)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CCSC3=CC=CC=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C22H28N6OS2/c1-2-30-22-25-20(27-12-6-7-13-27)18-16-24-28(21(18)26-22)14-11-23-19(29)10-15-31-17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H,23,29)