N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,5-dimethyl-furan-3-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,5-dimethyl-furan-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,5-dimethyl-furan-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2,5-dimethyl-3-furancarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,5-dimethyl-3-furamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(OC(=C3)C)C)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(OC(=C3)C)C)C(=N1)N4CCCCC4

InChI

InChI=1S/C21H28N6O2S/c1-4-30-21-24-18(26-9-6-5-7-10-26)17-13-23-27(19(17)25-21)11-8-22-20(28)16-12-14(2)29-15(16)3/h12-13H,4-11H2,1-3H3,(H,22,28)