N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-ylpyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-ylpyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-morpholinopyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(4-morpholinyl)-4-pyrimidinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-ylpyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-morpholinopyrimidin-4-yl)methylthio]nicotinamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=NC(=NC=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=NC(=NC=C3)N4CCOCC4)C

InChI

InChI=1S/C23H25N5O2S/c1-16-12-17(2)14-19(13-16)26-21(29)20-4-3-6-24-22(20)31-15-18-5-7-25-23(27-18)28-8-10-30-11-9-28/h3-7,12-14H,8-11,15H2,1-2H3,(H,26,29)