N-(3-chloranyl-4-fluoranyl-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C16H16ClFN4OS MolecularWeight: 366.840843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H16ClFN4OS/c17-12-7-11(3-4-13(12)18)21-15(23)9-24-16-8-14(19-10-20-16)22-5-1-2-6-22/h3-4,7-8,10H,1-2,5-6,9H2,(H,21,23)