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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-6-(4-chlorophenyl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-6-(4-chlorophenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-6-(4-chlorophenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-6-(4-chlorophenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-6-(4-chlorophenyl)-7-keto-pteridin-8-yl]propionitrile Formula: C21H13Cl2N5O2 MolecularWeight: 438.26622

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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)Cl)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N5O2/c22-14-7-5-13(6-8-14)18-20(29)28(10-2-9-24)19-17(26-18)12-25-21(27-19)30-16-4-1-3-15(23)11-16/h1,3-8,11-12H,2,10H2