2-[4-[4-azanyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[4-azanyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-fluoro-benzonitrile CAS Name: 2-[4-[4-amino-7-(4-oxanyl)-5-pyrrolo[2,3-d]pyrimidinyl]phenoxy]-5-fluorobenzonitrile IUPAC Name: 2-[4-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]-5-fluorobenzonitrile Traditional Name: 2-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-5-fluoro-benzonitrile Formula: C24H20FN5O2 MolecularWeight: 429.446303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=C(C=C(C=C5)F)C#N

Isomeric SMILES

C1COCCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=C(C=C(C=C5)F)C#N

InChI

InChI=1S/C24H20FN5O2/c25-17-3-6-21(16(11-17)12-26)32-19-4-1-15(2-5-19)20-13-30(18-7-9-31-10-8-18)24-22(20)23(27)28-14-29-24/h1-6,11,13-14,18H,7-10H2,(H2,27,28,29)