3-[2-(4-methoxyphenoxy)-7-oxidanylidene-6-phenethyl-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-(4-methoxyphenoxy)-7-oxidanylidene-6-phenethyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-phenethyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-phenethyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-phenethylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(4-methoxyphenoxy)-6-phenethyl-pteridin-8-yl]propionitrile Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC#N

InChI

InChI=1S/C24H21N5O3/c1-31-18-9-11-19(12-10-18)32-24-26-16-21-22(28-24)29(15-5-14-25)23(30)20(27-21)13-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,16H,5,8,13,15H2,1H3