2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-isopropylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyrimidinyl)methylthio]-N-(3-propan-2-ylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-aminopyrimidin-4-yl)methylthio]-N-m-cumenyl-nicotinamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-13(2)14-5-3-6-15(11-14)24-18(26)17-7-4-9-22-19(17)27-12-16-8-10-23-20(21)25-16/h3-11,13H,12H2,1-2H3,(H,24,26)(H2,21,23,25)