(E)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(2-thienyl)acrylamide Formula: C19H22N6OS2 MolecularWeight: 414.54758

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C=CC3=CC=CS3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)/C=C/C3=CC=CS3)C(=N1)N4CCCC4

InChI

InChI=1S/C19H22N6OS2/c1-27-19-22-17(24-9-2-3-10-24)15-13-21-25(18(15)23-19)11-8-20-16(26)7-6-14-5-4-12-28-14/h4-7,12-13H,2-3,8-11H2,1H3,(H,20,26)/b7-6+