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

Systemtic Name: 3-[6-(4-methoxyphenyl)-2-morpholin-4-yl-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-methoxyphenyl)-2-morpholino-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-methoxyphenyl)-2-(4-morpholinyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-methoxyphenyl)-2-morpholin-4-yl-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-6-(4-methoxyphenyl)-2-morpholino-pteridin-8-yl]propionitrile Formula: C20H20N6O3 MolecularWeight: 392.4112

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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)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)N4CCOCC4

InChI

InChI=1S/C20H20N6O3/c1-28-15-5-3-14(4-6-15)17-19(27)26(8-2-7-21)18-16(23-17)13-22-20(24-18)25-9-11-29-12-10-25/h3-6,13H,2,8-12H2,1H3