N-(4-nitrophenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-nitrophenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(4-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(4-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-3-4-12-9-14(21)19-16(18-12)25-10(2)15(22)17-11-5-7-13(8-6-11)20(23)24/h5-10H,3-4H2,1-2H3,(H,17,22)(H,18,19,21)