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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-8-cyclopropyl-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-(3-chlorophenoxy)-8-cyclopropyl-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-(3-chlorophenoxy)-8-cyclopropyl-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-8-cyclopropyl-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[2-(3-chlorophenoxy)-8-cyclopropyl-7-keto-pteridin-6-yl]benzonitrile Formula: C22H14ClN5O2 MolecularWeight: 415.83186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)OC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC1N2C3=NC(=NC=C3N=C(C2=O)C4=CC=CC(=C4)C#N)OC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H14ClN5O2/c23-15-5-2-6-17(10-15)30-22-25-12-18-20(27-22)28(16-7-8-16)21(29)19(26-18)14-4-1-3-13(9-14)11-24/h1-6,9-10,12,16H,7-8H2