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

Systemtic Name: 3-[6-(4-methoxyphenyl)-7-oxidanylidene-2-phenylazanyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-anilino-6-(4-methoxyphenyl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[2-anilino-6-(4-methoxyphenyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-anilino-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[2-anilino-7-keto-6-(4-methoxyphenyl)pteridin-8-yl]propionitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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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)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O2/c1-30-17-10-8-15(9-11-17)19-21(29)28(13-5-12-23)20-18(26-19)14-24-22(27-20)25-16-6-3-2-4-7-16/h2-4,6-11,14H,5,13H2,1H3,(H,24,25,27)