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4-[(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]benzoate

4-[(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name:4-[(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylmethyl]benzoate
Openeye Name:4-[(4,5-dimethyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]benzoate
CAS Name:4-[[(4,5-dimethyl-6-oxido-2-pyrimidinyl)thio]methyl]benzoate
IUPAC Name:4-[(4,5-dimethyl-6-oxidopyrimidin-2-yl)sulfanylmethyl]benzoate
Traditional Name:4-[[(4,5-dimethyl-6-oxido-pyrimidin-2-yl)thio]methyl]benzoate
Formula: C14H12N2O3S-2
MolecularWeight: 288.32168
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC2=CC=C(C=C2)C(=O)[O-])C


Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC2=CC=C(C=C2)C(=O)[O-])C


InChI

InChI=1S/C14H14N2O3S/c1-8-9(2)15-14(16-12(8)17)20-7-10-3-5-11(6-4-10)13(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17)/p-2


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