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

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide hydrochloride Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide hydrochloride CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide hydrochloride IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide hydrochloride Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide hydrochloride Formula: C20H21ClN4OS MolecularWeight: 400.92494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS.ClH/c1-13-8-14(2)10-16(9-13)24-19(25)17-4-3-6-23-20(17)26-12-15-5-7-22-18(21)11-15;/h3-11H,12H2,1-2H3,(H2,21,22)(H,24,25);1H