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

Systemtic Name: 2-[[2-(diethanoylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-(diacetylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(diacetylamino)-4-pyrimidinyl]methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-(diacetylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(diacetylamino)pyrimidin-4-yl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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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)N(C(=O)C)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O3S/c1-14-10-15(2)12-19(11-14)26-21(31)20-6-5-8-24-22(20)32-13-18-7-9-25-23(27-18)28(16(3)29)17(4)30/h5-12H,13H2,1-4H3,(H,26,31)