2-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H15N4O5S- MolecularWeight: 363.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C)OC)[N+](=O)[O-]

InChI

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