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

Systemtic Name: 3-methoxy-4-[(2S)-4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)morpholin-2-yl]benzenecarbonitrile Openeye Name: 3-methoxy-4-[(2S)-4-[1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]morpholin-2-yl]benzonitrile CAS Name: 3-methoxy-4-[(2S)-4-(1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl)-2-morpholinyl]benzonitrile IUPAC Name: 3-methoxy-4-[(2S)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]benzonitrile Traditional Name: 4-[(2S)-4-[6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]morpholin-2-yl]-3-methoxy-benzonitrile Formula: C22H21N5O3 MolecularWeight: 403.43384

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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=CC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCO[C@H](C2)C3=C(C=C(C=C3)C#N)OC)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5O3/c1-26-21(28)12-18(16-5-7-24-8-6-16)25-22(26)27-9-10-30-20(14-27)17-4-3-15(13-23)11-19(17)29-2/h3-8,11-12,20H,9-10,14H2,1-2H3/t20-/m1/s1