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

Systemtic Name: 2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(cyclopropylamino)-4-pyrimidinyl]methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C22H23N5OS MolecularWeight: 405.51592

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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)NC4CC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=NC(=NC=C3)NC4CC4)C

InChI

InChI=1S/C22H23N5OS/c1-14-10-15(2)12-18(11-14)25-20(28)19-4-3-8-23-21(19)29-13-17-7-9-24-22(27-17)26-16-5-6-16/h3-4,7-12,16H,5-6,13H2,1-2H3,(H,25,28)(H,24,26,27)