2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H15N4O5S- MolecularWeight: 411.4112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5S/c1-28-13-7-8-14(16(9-13)23(26)27)20-18(25)11-29-19-21-15(10-17(24)22-19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,25)(H,21,22,24)/p-1