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

Systemtic Name: 2-[2-[(2,4-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,4-dimethyl-6-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,4-dimethyl-6-nitroanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,4-dimethyl-6-nitroanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2,4-dimethyl-6-nitro-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H15N4O4S- MolecularWeight: 347.369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)[O-])C)C

InChI

InChI=1S/C15H16N4O4S/c1-8-4-9(2)14(11(5-8)19(22)23)17-13(21)7-24-15-16-10(3)6-12(20)18-15/h4-6H,7H2,1-3H3,(H,17,21)(H,16,18,20)/p-1