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

Systemtic Name: 5-ethyl-6-methyl-2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-ethyl-6-methyl-2-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-ethyl-6-methyl-2-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H18N4O4S/c1-4-12-10(3)17-16(19-15(12)22)25-8-14(21)18-13-7-11(20(23)24)6-5-9(13)2/h5-7H,4,8H2,1-3H3,(H,18,21)(H,17,19,22)/p-1