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

Systemtic Name: 3-(dimethylamino)-N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Openeye Name: 3-(dimethylamino)-N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 3-(dimethylamino)-N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzamide Traditional Name: 3-(dimethylamino)-N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C23H31N7OS MolecularWeight: 453.60354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7OS/c1-4-32-23-26-20(29-12-6-5-7-13-29)19-16-25-30(21(19)27-23)14-11-24-22(31)17-9-8-10-18(15-17)28(2)3/h8-10,15-16H,4-7,11-14H2,1-3H3,(H,24,31)