2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[[2-(4-nitroanilino)-2-oxoethyl]thio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1H-pyrimidin-4-olate Formula: C19H15N4O5S- MolecularWeight: 411.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H16N4O5S/c24-16(20-13-6-8-14(9-7-13)23(27)28)11-29-19-21-17(25)15(18(26)22-19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,24)(H2,21,22,25,26)/p-1