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2-methylpropyl 2-[(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanoate

2-methylpropyl 2-[(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name:2-methylpropyl 2-[(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanoate
Openeye Name:isobutyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanoate
CAS Name:2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]propanoic acid 2-methylpropyl ester
IUPAC Name:2-methylpropyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanoate
Traditional Name:2-[(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]propionic acid isobutyl ester
Formula: C13H18N4O3S
MolecularWeight: 310.37202
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)N=C(N2)SC(C)C(=O)OCC(C)C


Isomeric SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)SC(C)C(=O)OCC(C)C


InChI

InChI=1S/C13H18N4O3S/c1-7(2)6-20-11(19)9(4)21-13-15-12-14-8(3)5-10(18)17(12)16-13/h5,7,9H,6H2,1-4H3,(H,14,15,16)


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