3-[2-(4-methoxyphenoxy)-8-[(3-methoxyphenyl)methyl]-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-methoxyphenoxy)-8-[(3-methoxyphenyl)methyl]-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-methoxyphenoxy)-8-[(3-methoxyphenyl)methyl]-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[2-(4-methoxyphenoxy)-8-[(3-methoxyphenyl)methyl]-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-(4-methoxyphenoxy)-8-[(3-methoxyphenyl)methyl]-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-8-m-anisyl-2-(4-methoxyphenoxy)pteridin-6-yl]benzonitrile Formula: C28H21N5O4 MolecularWeight: 491.49744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)CC5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C28H21N5O4/c1-35-21-9-11-22(12-10-21)37-28-30-16-24-26(32-28)33(17-19-6-4-8-23(14-19)36-2)27(34)25(31-24)20-7-3-5-18(13-20)15-29/h3-14,16H,17H2,1-2H3