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

Systemtic Name: 2-[[2-(butylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-(butylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(butylamino)-4-pyrimidinyl]methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-(butylamino)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(butylamino)pyrimidin-4-yl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=CC(=N1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCNC1=NC=CC(=N1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H27N5OS/c1-4-5-9-25-23-26-11-8-18(28-23)15-30-22-20(7-6-10-24-22)21(29)27-19-13-16(2)12-17(3)14-19/h6-8,10-14H,4-5,9,15H2,1-3H3,(H,27,29)(H,25,26,28)