4,5-dimethoxy-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-nitro-benzamide Openeye Name: N-[2-(6-isopropylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-[4-(4-morpholinyl)-6-(propan-2-ylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-nitrobenzamide Traditional Name: N-[2-[6-(isopropylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C23H29N7O6S MolecularWeight: 531.58466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=N1)N4CCOCC4

Isomeric SMILES

CC(C)SC1=NC2=C(C=NN2CCNC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=N1)N4CCOCC4

InChI

InChI=1S/C23H29N7O6S/c1-14(2)37-23-26-20(28-7-9-36-10-8-28)16-13-25-29(21(16)27-23)6-5-24-22(31)15-11-18(34-3)19(35-4)12-17(15)30(32)33/h11-14H,5-10H2,1-4H3,(H,24,31)