2-[5-(2-hydroxyethyl)-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)sulfonyl-ethanimidate

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxidanidyl-pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)sulfonyl-ethanimidate Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]sulfanyl-N-(p-tolylsulfonyl)ethanimidate CAS Name: 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxido-2-pyrimidinyl]thio]-N-(4-methylphenyl)sulfonylethanimidate IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxidopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)sulfonylethanimidate Traditional Name: 2-[[5-(2-hydroxyethyl)-4-methyl-6-oxido-pyrimidin-2-yl]thio]-N-tosyl-acetimidate Formula: C16H17N3O5S2-2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2/c1-10-3-5-12(6-4-10)26(23,24)19-14(21)9-25-16-17-11(2)13(7-8-20)15(22)18-16/h3-6,20H,7-9H2,1-2H3,(H,19,21)(H,17,18,22)/p-2