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

Systemtic Name: 3-[2-(4-methoxyphenoxy)-7-oxidanylidene-6-thiophen-2-yl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-(2-thienyl)pteridin-8-yl]propanenitrile CAS Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-thiophen-2-yl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(4-methoxyphenoxy)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(4-methoxyphenoxy)-6-(2-thienyl)pteridin-8-yl]propionitrile Formula: C20H15N5O3S MolecularWeight: 405.4298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CCC#N

InChI

InChI=1S/C20H15N5O3S/c1-27-13-5-7-14(8-6-13)28-20-22-12-15-18(24-20)25(10-3-9-21)19(26)17(23-15)16-4-2-11-29-16/h2,4-8,11-12H,3,10H2,1H3