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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-6-(4-methoxyphenyl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-6-(4-methoxyphenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-6-(4-methoxyphenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-7-keto-6-(4-methoxyphenyl)pteridin-8-yl]propionitrile Formula: C22H16ClN5O3 MolecularWeight: 433.84714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)OC4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN5O3/c1-30-16-8-6-14(7-9-16)19-21(29)28(11-3-10-24)20-18(26-19)13-25-22(27-20)31-17-5-2-4-15(23)12-17/h2,4-9,12-13H,3,11H2,1H3