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

Systemtic Name: N-(2-nitrophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-nitrophenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-nitrophenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-nitrophenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c23-16(20-13-6-2-3-7-14(13)22(24)25)11-26-17-10-15(18-12-19-17)21-8-4-1-5-9-21/h2-3,6-7,10,12H,1,4-5,8-9,11H2,(H,20,23)