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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=C(C=C4)Cl)CCC#N

InChI

InChI=1S/C22H16ClN5O3/c1-30-16-7-9-17(10-8-16)31-22-25-13-18-20(27-22)28(12-2-11-24)21(29)19(26-18)14-3-5-15(23)6-4-14/h3-10,13H,2,12H2,1H3