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

Systemtic Name: 6-ethyl-2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]pyrimidin-4-olate Formula: C15H15N4O5S- MolecularWeight: 363.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H16N4O5S/c1-3-9-6-13(20)18-15(16-9)25-8-14(21)17-11-5-4-10(24-2)7-12(11)19(22)23/h4-7H,3,8H2,1-2H3,(H,17,21)(H,16,18,20)/p-1