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

Systemtic Name: 3-[2-(3-chloranylphenoxy)-6-(1-methylindol-3-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(3-chlorophenoxy)-6-(1-methylindol-3-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(3-chlorophenoxy)-6-(1-methyl-3-indolyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(3-chlorophenoxy)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-(3-chlorophenoxy)-7-keto-6-(1-methylindol-3-yl)pteridin-8-yl]propionitrile Formula: C24H17ClN6O2 MolecularWeight: 456.88378

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClN6O2/c1-30-14-18(17-8-2-3-9-20(17)30)21-23(32)31(11-5-10-26)22-19(28-21)13-27-24(29-22)33-16-7-4-6-15(25)12-16/h2-4,6-9,12-14H,5,11H2,1H3