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

Systemtic Name: 4-[[7-[4-[(E)-2-cyanoethenyl]-2-fluoranyl-phenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[7-[4-[(E)-2-cyanovinyl]-2-fluoro-phenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[7-[4-[(E)-2-cyanoethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile IUPAC Name: 4-[[7-[4-[(E)-2-cyanoethenyl]-2-fluorophenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[7-[4-[(E)-2-cyanovinyl]-2-fluoro-phenyl]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile Formula: C23H17FN6 MolecularWeight: 396.419683

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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=C4)C=CC#N)F

Isomeric SMILES

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

InChI

InChI=1S/C23H17FN6/c1-15-19-10-12-30(21-9-6-16(3-2-11-25)13-20(21)24)22(19)29-23(27-15)28-18-7-4-17(14-26)5-8-18/h2-9,13H,10,12H2,1H3,(H,27,28,29)/b3-2+