5-[3-fluoranyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperazin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-fluoranyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperazin-1-yl-pyrimidine-2,4-diamine Openeye Name: 5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperazin-1-yl-pyrimidine-2,4-diamine CAS Name: 5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(1-piperazinyl)pyrimidine-2,4-diamine IUPAC Name: 5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperazin-1-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-piperazino-pyrimidin-4-yl]amine Formula: C21H21FN8O MolecularWeight: 420.442843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)OC4=C5C=CNC5=NC=C4)F

Isomeric SMILES

C1CN(CCN1)C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)OC4=C5C=CNC5=NC=C4)F

InChI

InChI=1S/C21H21FN8O/c22-14-11-12(1-2-16(14)31-15-4-6-27-19-13(15)3-5-26-19)17-18(23)28-21(24)29-20(17)30-9-7-25-8-10-30/h1-6,11,25H,7-10H2,(H,26,27)(H4,23,24,28,29)