4-[[7-[4-[(E)-2-cyanoethenyl]-2,6-bis(fluoranyl)phenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[7-[4-[(E)-2-cyanoethenyl]-2,6-bis(fluoranyl)phenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[7-[4-[(E)-2-cyanovinyl]-2,6-difluoro-phenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[7-[4-[(E)-2-cyanoethenyl]-2,6-difluorophenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile IUPAC Name: 4-[[7-[4-[(E)-2-cyanoethenyl]-2,6-difluorophenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[7-[4-[(E)-2-cyanovinyl]-2,6-difluoro-phenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile Formula: C23H16F2N6 MolecularWeight: 414.410146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN(C2=NC(=N1)NC3=CC=C(C=C3)C#N)C4=C(C=C(C=C4F)C=CC#N)F

Isomeric SMILES

CC1=C2CCN(C2=NC(=N1)NC3=CC=C(C=C3)C#N)C4=C(C=C(C=C4F)/C=C/C#N)F

InChI

InChI=1S/C23H16F2N6/c1-14-18-8-10-31(21-19(24)11-16(3-2-9-26)12-20(21)25)22(18)30-23(28-14)29-17-6-4-15(13-27)5-7-17/h2-7,11-12H,8,10H2,1H3,(H,28,29,30)/b3-2+