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

Systemtic Name: 2-[4-[4-azanyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]benzenecarbonitrile Openeye Name: 2-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzonitrile CAS Name: 2-[4-[4-amino-7-(4-oxanyl)-5-pyrrolo[2,3-d]pyrimidinyl]phenoxy]benzonitrile IUPAC Name: 2-[4-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]benzonitrile Traditional Name: 2-[4-(4-amino-7-tetrahydropyran-4-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzonitrile Formula: C24H21N5O2 MolecularWeight: 411.45584

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5C#N

Isomeric SMILES

C1COCCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5C#N

InChI

InChI=1S/C24H21N5O2/c25-13-17-3-1-2-4-21(17)31-19-7-5-16(6-8-19)20-14-29(18-9-11-30-12-10-18)24-22(20)23(26)27-15-28-24/h1-8,14-15,18H,9-12H2,(H2,26,27,28)