3-methoxy-4-[4-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)morpholin-2-yl]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)morpholin-2-yl]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)morpholin-2-yl]benzonitrile CAS Name: 3-methoxy-4-[4-[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]-2-morpholinyl]benzonitrile IUPAC Name: 3-methoxy-4-[4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)morpholin-2-yl]benzonitrile Traditional Name: 4-[4-[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]morpholin-2-yl]-3-methoxy-benzonitrile Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCOC(C2)C3=C(C=C(C=C3)C#N)OC)C4=NC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCOC(C2)C3=C(C=C(C=C3)C#N)OC)C4=NC=NC=C4

InChI

InChI=1S/C21H20N6O3/c1-26-20(28)10-17(16-5-6-23-13-24-16)25-21(26)27-7-8-30-19(12-27)15-4-3-14(11-22)9-18(15)29-2/h3-6,9-10,13,19H,7-8,12H2,1-2H3