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2-[(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

2-[(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name:2-[(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate
Openeye Name:2-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]acetate
CAS Name:2-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)thio]acetate
IUPAC Name:2-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)sulfanyl]acetate
Traditional Name:2-[(5-amyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetate
Formula: C12H17N2O3S-
MolecularWeight: 269.33998
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)SCC(=O)[O-])C


Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)SCC(=O)[O-])C


InChI

InChI=1S/C12H18N2O3S/c1-3-4-5-6-9-8(2)13-12(14-11(9)17)18-7-10(15)16/h3-7H2,1-2H3,(H,15,16)(H,13,14,17)/p-1


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