3-[2-(3-chloranylphenoxy)-6-(4-fluorophenyl)-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-(3-chloranylphenoxy)-6-(4-fluorophenyl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-6-(4-fluorophenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-6-(4-fluorophenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-6-(4-fluorophenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-6-(4-fluorophenyl)-7-keto-pteridin-8-yl]propionitrile Formula: C21H13ClFN5O2 MolecularWeight: 421.811623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)F)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)F)CCC#N

InChI

InChI=1S/C21H13ClFN5O2/c22-14-3-1-4-16(11-14)30-21-25-12-17-19(27-21)28(10-2-9-24)20(29)18(26-17)13-5-7-15(23)8-6-13/h1,3-8,11-12H,2,10H2