N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide Openeye Name: N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide CAS Name: N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenoxybenzamide IUPAC Name: N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxybenzamide Traditional Name: N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide Formula: C25H26N6O3S MolecularWeight: 490.57734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCOCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCOCC5

InChI

InChI=1S/C25H26N6O3S/c1-35-25-28-22(30-13-15-33-16-14-30)20-17-27-31(23(20)29-25)12-11-26-24(32)19-9-5-6-10-21(19)34-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,32)