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

Systemtic Name: 3-[8-(2-cyanoethyl)-7-oxidanylidene-2-phenoxy-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-cyanoethyl)-7-oxo-2-phenoxy-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-cyanoethyl)-7-oxo-2-phenoxy-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-cyanoethyl)-7-oxo-2-phenoxypteridin-6-yl]benzonitrile Traditional Name: 3-[8-(2-cyanoethyl)-7-keto-2-phenoxy-pteridin-6-yl]benzonitrile Formula: C22H14N6O2 MolecularWeight: 394.38556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N6O2/c23-10-5-11-28-20-18(14-25-22(27-20)30-17-8-2-1-3-9-17)26-19(21(28)29)16-7-4-6-15(12-16)13-24/h1-4,6-9,12,14H,5,11H2