methyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Openeye Name: methyl 2-[2-(6-isopropylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate CAS Name: 2-[[2-[4-(4-morpholinyl)-6-(propan-2-ylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)ethylcarbamoyl]benzoate Traditional Name: 2-[2-[6-(isopropylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylcarbamoyl]benzoic acid methyl ester Formula: C23H28N6O4S MolecularWeight: 484.57122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3C(=O)OC)C(=N1)N4CCOCC4

Isomeric SMILES

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3C(=O)OC)C(=N1)N4CCOCC4

InChI

InChI=1S/C23H28N6O4S/c1-15(2)34-23-26-19(28-10-12-33-13-11-28)18-14-25-29(20(18)27-23)9-8-24-21(30)16-6-4-5-7-17(16)22(31)32-3/h4-7,14-15H,8-13H2,1-3H3,(H,24,30)