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

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-(2-hydroxyethyl)-6-methyl-2-[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-(2-hydroxyethyl)-6-methyl-2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-(2-hydroxyethyl)-2-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H18N3O3S2- MolecularWeight: 364.46242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-10-13(6-7-20)15(22)19-16(17-10)24-9-14(21)18-11-4-3-5-12(8-11)23-2/h3-5,8,20H,6-7,9H2,1-2H3,(H,18,21)(H,17,19,22)/p-1