3-[2-(3-chloranylphenoxy)-7-oxidanylidene-6-phenethyl-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-(3-chloranylphenoxy)-7-oxidanylidene-6-phenethyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-phenethyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-phenethyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-phenethylpteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-7-keto-6-phenethyl-pteridin-8-yl]propionitrile Formula: C23H18ClN5O2 MolecularWeight: 431.87432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=CN=C(N=C3N(C2=O)CCC#N)OC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=CN=C(N=C3N(C2=O)CCC#N)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H18ClN5O2/c24-17-8-4-9-18(14-17)31-23-26-15-20-21(28-23)29(13-5-12-25)22(30)19(27-20)11-10-16-6-2-1-3-7-16/h1-4,6-9,14-15H,5,10-11,13H2