4-[[4-[[3-[(E)-2-cyanoethenyl]-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[3-[(E)-2-cyanoethenyl]-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[3-[(E)-2-cyanovinyl]-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[3-[(E)-2-cyanoethenyl]-1H-inden-5-yl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[3-[(E)-2-cyanoethenyl]-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[3-[(E)-2-cyanovinyl]-1H-inden-5-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C23H16N6 MolecularWeight: 376.41334

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=C1C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)C=CC#N

Isomeric SMILES

C1C=C(C2=C1C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)/C=C/C#N

InChI

InChI=1S/C23H16N6/c24-12-1-2-17-5-6-18-7-10-20(14-21(17)18)27-22-11-13-26-23(29-22)28-19-8-3-16(15-25)4-9-19/h1-5,7-11,13-14H,6H2,(H2,26,27,28,29)/b2-1+