3-[4-[[4-methoxy-3-(3-morpholin-4-ylpropoxy)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[[4-methoxy-3-(3-morpholin-4-ylpropoxy)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[[4-methoxy-3-(3-morpholinopropoxy)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[4-[[4-methoxy-3-[3-(4-morpholinyl)propoxy]phenyl]methylamino]-1-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[[4-methoxy-3-(3-morpholin-4-ylpropoxy)phenyl]methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[4-[[4-methoxy-3-(3-morpholinopropoxy)benzyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OCCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#N)OCCCN5CCOCC5

InChI

InChI=1S/C27H29N7O3/c1-35-24-7-6-21(15-25(24)37-11-3-8-33-9-12-36-13-10-33)17-29-26-23-18-32-34(27(23)31-19-30-26)22-5-2-4-20(14-22)16-28/h2,4-7,14-15,18-19H,3,8-13,17H2,1H3,(H,29,30,31)