(E)-N-[2-(6-ethylsulfanyl-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-ethylsulfanyl-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-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(2-thienyl)acrylamide Formula: C20H24N6OS2 MolecularWeight: 428.57416

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C=CC3=CC=CS3)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)/C=C/C3=CC=CS3)C(=N1)N4CCCC4

InChI

InChI=1S/C20H24N6OS2/c1-2-28-20-23-18(25-10-3-4-11-25)16-14-22-26(19(16)24-20)12-9-21-17(27)8-7-15-6-5-13-29-15/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,27)/b8-7+