3-[2-(4-methoxyphenoxy)-6-(1-methylindol-3-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[2-(4-methoxyphenoxy)-6-(1-methylindol-3-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(4-methoxyphenoxy)-6-(1-methylindol-3-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(4-methoxyphenoxy)-6-(1-methyl-3-indolyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(4-methoxyphenoxy)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(4-methoxyphenoxy)-6-(1-methylindol-3-yl)pteridin-8-yl]propionitrile Formula: C25H20N6O3 MolecularWeight: 452.4647

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)OC5=CC=C(C=C5)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)OC5=CC=C(C=C5)OC

InChI

InChI=1S/C25H20N6O3/c1-30-15-19(18-6-3-4-7-21(18)30)22-24(32)31(13-5-12-26)23-20(28-22)14-27-25(29-23)34-17-10-8-16(33-2)9-11-17/h3-4,6-11,14-15H,5,13H2,1-2H3