6-(4-methoxyphenyl)-2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[(2-morpholino-3-pyridyl)methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-(4-morpholinyl)-3-pyridinyl]methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-[(2-morpholino-3-pyridyl)methylamino]-1H-pyrimidine-5-carbonitrile Formula: C22H22N6O3 MolecularWeight: 418.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=C(N=CC=C3)N4CCOCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=C(N=CC=C3)N4CCOCC4)C#N

InChI

InChI=1S/C22H22N6O3/c1-30-17-6-4-15(5-7-17)19-18(13-23)21(29)27-22(26-19)25-14-16-3-2-8-24-20(16)28-9-11-31-12-10-28/h2-8H,9-12,14H2,1H3,(H2,25,26,27,29)