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

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

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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

Isomeric SMILES

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

InChI

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