3-[6-[3,5-bis(fluoranyl)phenyl]-7-oxidanylidene-2-phenylazanyl-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[6-[3,5-bis(fluoranyl)phenyl]-7-oxidanylidene-2-phenylazanyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-anilino-6-(3,5-difluorophenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-anilino-6-(3,5-difluorophenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-anilino-6-(3,5-difluorophenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-anilino-6-(3,5-difluorophenyl)-7-keto-pteridin-8-yl]propionitrile Formula: C21H14F2N6O MolecularWeight: 404.372266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CCC#N

InChI

InChI=1S/C21H14F2N6O/c22-14-9-13(10-15(23)11-14)18-20(30)29(8-4-7-24)19-17(27-18)12-25-21(28-19)26-16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,8H2,(H,25,26,28)