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

Systemtic Name: 2-[4-methyl-6-oxidanidyl-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)sulfonyl-ethanimidate Openeye Name: 2-(5-benzyl-4-methyl-6-oxido-pyrimidin-2-yl)sulfanyl-N-(p-tolylsulfonyl)ethanimidate CAS Name: 2-[[4-methyl-6-oxido-5-(phenylmethyl)-2-pyrimidinyl]thio]-N-(4-methylphenyl)sulfonylethanimidate IUPAC Name: 2-(5-benzyl-4-methyl-6-oxidopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)sulfonylethanimidate Traditional Name: 2-[(5-benzyl-4-methyl-6-oxido-pyrimidin-2-yl)thio]-N-tosyl-acetimidate Formula: C21H19N3O4S2-2 MolecularWeight: 441.52326

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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-])CC3=CC=CC=C3)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(CSC2=NC(=C(C(=N2)[O-])CC3=CC=CC=C3)C)[O-]

InChI

InChI=1S/C21H21N3O4S2/c1-14-8-10-17(11-9-14)30(27,28)24-19(25)13-29-21-22-15(2)18(20(26)23-21)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,25)(H,22,23,26)/p-2