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

Systemtic Name: 2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyrimidinyl)methylthio]-N-(4-chlorophenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-aminopyrimidin-4-yl)methylthio]-N-(4-chlorophenyl)nicotinamide Formula: C17H14ClN5OS MolecularWeight: 371.84396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=NC(=NC=C2)N)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=NC(=NC=C2)N)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN5OS/c18-11-3-5-12(6-4-11)22-15(24)14-2-1-8-20-16(14)25-10-13-7-9-21-17(19)23-13/h1-9H,10H2,(H,22,24)(H2,19,21,23)