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

Systemtic Name: 3-[2-(4-methoxyphenoxy)-7-oxidanylidene-6-phenyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-phenyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-phenyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-phenylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(4-methoxyphenoxy)-6-phenyl-pteridin-8-yl]propionitrile Formula: C22H17N5O3 MolecularWeight: 399.40208

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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=CC=C4)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3/c1-29-16-8-10-17(11-9-16)30-22-24-14-18-20(26-22)27(13-5-12-23)21(28)19(25-18)15-6-3-2-4-7-15/h2-4,6-11,14H,5,13H2,1H3