2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H15N4O4S- MolecularWeight: 347.369

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H16N4O4S/c1-2-4-10-8-13(20)18-15(17-10)24-9-14(21)16-11-5-3-6-12(7-11)19(22)23/h3,5-8H,2,4,9H2,1H3,(H,16,21)(H,17,18,20)/p-1