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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C)[N+](=O)[O-]

InChI

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