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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-8-(2-methoxyethyl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-(3-chlorophenoxy)-8-(2-methoxyethyl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-(3-chlorophenoxy)-8-(2-methoxyethyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-8-(2-methoxyethyl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[2-(3-chlorophenoxy)-7-keto-8-(2-methoxyethyl)pteridin-6-yl]benzonitrile Formula: C22H16ClN5O3 MolecularWeight: 433.84714

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)OC4=CC(=CC=C4)Cl

Isomeric SMILES

COCCN1C2=NC(=NC=C2N=C(C1=O)C3=CC=CC(=C3)C#N)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN5O3/c1-30-9-8-28-20-18(13-25-22(27-20)31-17-7-3-6-16(23)11-17)26-19(21(28)29)15-5-2-4-14(10-15)12-24/h2-7,10-11,13H,8-9H2,1H3