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

Systemtic Name: 6-methyl-2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S/c1-8-3-4-10(18(21)22)6-11(8)16-13(20)7-23-14-15-9(2)5-12(19)17-14/h3-6H,7H2,1-2H3,(H,16,20)(H,15,17,19)/p-1