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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-7-keto-pteridin-8-yl]propionitrile Formula: C15H10ClN5O2 MolecularWeight: 327.7252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClN5O2/c16-10-3-1-4-11(7-10)23-15-19-8-12-14(20-15)21(6-2-5-17)13(22)9-18-12/h1,3-4,7-9H,2,6H2