(E)-N-[2-(6-ethylsulfanyl-4-piperidin-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-piperidin-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-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(2-thienyl)acrylamide Formula: C21H26N6OS2 MolecularWeight: 442.60074

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C=CC3=CC=CS3)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)/C=C/C3=CC=CS3)C(=N1)N4CCCCC4

InChI

InChI=1S/C21H26N6OS2/c1-2-29-21-24-19(26-11-4-3-5-12-26)17-15-23-27(20(17)25-21)13-10-22-18(28)9-8-16-7-6-14-30-16/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,28)/b9-8+