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

Systemtic Name: 2-[(2-acetamidopyrimidin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-acetamidopyrimidin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyrimidinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyrimidin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-acetamidopyrimidin-4-yl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-13-9-14(2)11-17(10-13)25-19(28)18-5-4-7-22-20(18)29-12-16-6-8-23-21(26-16)24-15(3)27/h4-11H,12H2,1-3H3,(H,25,28)(H,23,24,26,27)