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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1,3-benzothiazole-2-carboxamide Formula: C22H25N7OS2 MolecularWeight: 467.6102

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCCCC5

InChI

InChI=1S/C22H25N7OS2/c1-2-31-22-26-18(28-11-6-3-7-12-28)15-14-24-29(19(15)27-22)13-10-23-20(30)21-25-16-8-4-5-9-17(16)32-21/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,23,30)