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

Systemtic Name: 3-[6-[3,5-bis(fluoranyl)phenyl]-7-oxidanylidene-2-phenylmethoxy-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-benzyloxy-6-(3,5-difluorophenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(3,5-difluorophenyl)-7-oxo-2-phenylmethoxy-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(3,5-difluorophenyl)-7-oxo-2-phenylmethoxypteridin-8-yl]propanenitrile Traditional Name: 3-[2-benzoxy-6-(3,5-difluorophenyl)-7-keto-pteridin-8-yl]propionitrile Formula: C22H15F2N5O2 MolecularWeight: 419.383606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CCC#N

InChI

InChI=1S/C22H15F2N5O2/c23-16-9-15(10-17(24)11-16)19-21(30)29(8-4-7-25)20-18(27-19)12-26-22(28-20)31-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,8,13H2