3-[(E)-[5-fluoranyl-4-(quinolin-6-ylamino)pyrimidin-2-yl]iminomethyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-[5-fluoranyl-4-(quinolin-6-ylamino)pyrimidin-2-yl]iminomethyl]benzenecarbonitrile Openeye Name: 3-[(E)-[5-fluoro-4-(6-quinolylamino)pyrimidin-2-yl]iminomethyl]benzonitrile CAS Name: 3-[(E)-[5-fluoro-4-(6-quinolinylamino)-2-pyrimidinyl]iminomethyl]benzonitrile IUPAC Name: 3-[(E)-[5-fluoro-4-(quinolin-6-ylamino)pyrimidin-2-yl]iminomethyl]benzonitrile Traditional Name: 3-[(E)-[5-fluoro-4-(6-quinolylamino)pyrimidin-2-yl]iminomethyl]benzonitrile Formula: C21H13FN6 MolecularWeight: 368.366523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CC=C4)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C=N/C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CC=C4)F)C#N

InChI

InChI=1S/C21H13FN6/c22-18-13-26-21(25-12-15-4-1-3-14(9-15)11-23)28-20(18)27-17-6-7-19-16(10-17)5-2-8-24-19/h1-10,12-13H,(H,26,27,28)/b25-12+