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

Systemtic Name: 2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyrimidinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-aminopyrimidin-4-yl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C19H19N5OS MolecularWeight: 365.45206

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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5OS/c1-12-8-13(2)10-15(9-12)23-17(25)16-4-3-6-21-18(16)26-11-14-5-7-22-19(20)24-14/h3-10H,11H2,1-2H3,(H,23,25)(H2,20,22,24)