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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-8-(2-cyanoethyl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-(3-chlorophenoxy)-8-(2-cyanoethyl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-(3-chlorophenoxy)-8-(2-cyanoethyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-8-(2-cyanoethyl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[2-(3-chlorophenoxy)-8-(2-cyanoethyl)-7-keto-pteridin-6-yl]benzonitrile Formula: C22H13ClN6O2 MolecularWeight: 428.83062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13ClN6O2/c23-16-6-2-7-17(11-16)31-22-26-13-18-20(28-22)29(9-3-8-24)21(30)19(27-18)15-5-1-4-14(10-15)12-25/h1-2,4-7,10-11,13H,3,9H2