3-[8-(2-cyanoethyl)-2-(4-methoxyphenoxy)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(2-cyanoethyl)-2-(4-methoxyphenoxy)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-cyanoethyl)-2-(4-methoxyphenoxy)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-cyanoethyl)-2-(4-methoxyphenoxy)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-cyanoethyl)-2-(4-methoxyphenoxy)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[8-(2-cyanoethyl)-7-keto-2-(4-methoxyphenoxy)pteridin-6-yl]benzonitrile Formula: C23H16N6O3 MolecularWeight: 424.41154

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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)C#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C23H16N6O3/c1-31-17-6-8-18(9-7-17)32-23-26-14-19-21(28-23)29(11-3-10-24)22(30)20(27-19)16-5-2-4-15(12-16)13-25/h2,4-9,12,14H,3,11H2,1H3