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4-[(4-oxidanidyl-6-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

4-[(4-oxidanidyl-6-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name:4-[(4-oxidanidyl-6-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate
Openeye Name:4-[(4-isopropyl-6-oxido-pyrimidin-2-yl)sulfanylmethyl]benzoate
CAS Name:4-[[(4-oxido-6-propan-2-yl-2-pyrimidinyl)thio]methyl]benzoate
IUPAC Name:4-[(4-oxido-6-propan-2-ylpyrimidin-2-yl)sulfanylmethyl]benzoate
Traditional Name:4-[[(4-isopropyl-6-oxido-pyrimidin-2-yl)thio]methyl]benzoate
Formula: C15H14N2O3S-2
MolecularWeight: 302.34826
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])[O-]


Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)[O-])[O-]


InChI

InChI=1S/C15H16N2O3S/c1-9(2)12-7-13(18)17-15(16-12)21-8-10-3-5-11(6-4-10)14(19)20/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)/p-2


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