N-(2-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-nitrophenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-nitrophenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S/c22-15(19-12-5-1-2-6-13(12)21(23)24)10-25-16-9-14(17-11-18-16)20-7-3-4-8-20/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,19,22)