methyl 4-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Traditional Name: 4-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylcarbamoyl]benzoic acid methyl ester Formula: C23H28N6O3S MolecularWeight: 468.57182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O3S/c1-3-33-23-26-19(28-12-5-4-6-13-28)18-15-25-29(20(18)27-23)14-11-24-21(30)16-7-9-17(10-8-16)22(31)32-2/h7-10,15H,3-6,11-14H2,1-2H3,(H,24,30)