3-[6-(4-methoxyphenyl)-7-oxidanylidene-2-phenylmethoxy-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[6-(4-methoxyphenyl)-7-oxidanylidene-2-phenylmethoxy-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-benzyloxy-6-(4-methoxyphenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-methoxyphenyl)-7-oxo-2-phenylmethoxy-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-methoxyphenyl)-7-oxo-2-phenylmethoxypteridin-8-yl]propanenitrile Traditional Name: 3-[2-benzoxy-7-keto-6-(4-methoxyphenyl)pteridin-8-yl]propionitrile Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19N5O3/c1-30-18-10-8-17(9-11-18)20-22(29)28(13-5-12-24)21-19(26-20)14-25-23(27-21)31-15-16-6-3-2-4-7-16/h2-4,6-11,14H,5,13,15H2,1H3