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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C16H16FN5O3S MolecularWeight: 377.393343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN5O3S/c17-12-4-3-11(7-13(12)22(24)25)20-15(23)9-26-16-8-14(18-10-19-16)21-5-1-2-6-21/h3-4,7-8,10H,1-2,5-6,9H2,(H,20,23)