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

Systemtic Name: 2-[4-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzenecarbonitrile Openeye Name: 2-[4-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzonitrile CAS Name: 2-[4-(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)phenoxy]benzonitrile IUPAC Name: 2-[4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzonitrile Traditional Name: 2-[4-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzonitrile Formula: C22H19N5O MolecularWeight: 369.41916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4C#N

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4C#N

InChI

InChI=1S/C22H19N5O/c1-14(2)27-12-18(20-21(24)25-13-26-22(20)27)15-7-9-17(10-8-15)28-19-6-4-3-5-16(19)11-23/h3-10,12-14H,1-2H3,(H2,24,25,26)