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

Systemtic Name: 3-[6-(1-methylindol-3-yl)-7-oxidanylidene-2-phenylmethoxy-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-benzyloxy-6-(1-methylindol-3-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(1-methyl-3-indolyl)-7-oxo-2-phenylmethoxy-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(1-methylindol-3-yl)-7-oxo-2-phenylmethoxypteridin-8-yl]propanenitrile Traditional Name: 3-[2-benzoxy-7-keto-6-(1-methylindol-3-yl)pteridin-8-yl]propionitrile Formula: C25H20N6O2 MolecularWeight: 436.4653

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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)OCC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CCC#N)OCC5=CC=CC=C5

InChI

InChI=1S/C25H20N6O2/c1-30-15-19(18-10-5-6-11-21(18)30)22-24(32)31(13-7-12-26)23-20(28-22)14-27-25(29-23)33-16-17-8-3-2-4-9-17/h2-6,8-11,14-15H,7,13,16H2,1H3