5-(2-hydroxyethyl)-6-methyl-2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-(2-hydroxyethyl)-6-methyl-2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-(2-hydroxyethyl)-2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H15N4O5S- MolecularWeight: 363.3684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5S/c1-9-12(5-6-20)14(22)18-15(16-9)25-8-13(21)17-10-3-2-4-11(7-10)19(23)24/h2-4,7,20H,5-6,8H2,1H3,(H,17,21)(H,16,18,22)/p-1