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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-7-oxidanylidene-6-phenyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-phenyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-phenyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-7-oxo-6-phenylpteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-7-keto-6-phenyl-pteridin-8-yl]propionitrile Formula: C21H14ClN5O2 MolecularWeight: 403.82116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN5O2/c22-15-8-4-9-16(12-15)29-21-24-13-17-19(26-21)27(11-5-10-23)20(28)18(25-17)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,11H2