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

Systemtic Name: 5-(2-hydroxyethyl)-2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-(2-hydroxyethyl)-2-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-(2-hydroxyethyl)-2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-(2-hydroxyethyl)-2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-(2-hydroxyethyl)-2-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H17N4O6S- MolecularWeight: 393.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])[O-])CCO

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])[O-])CCO

InChI

InChI=1S/C16H18N4O6S/c1-9-11(5-6-21)15(23)19-16(17-9)27-8-14(22)18-12-4-3-10(26-2)7-13(12)20(24)25/h3-4,7,21H,5-6,8H2,1-2H3,(H,18,22)(H,17,19,23)/p-1