(6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl) 2-sulfanylbutanoate

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl) 2-sulfanylbutanoate Openeye Name: (6-methyl-4-oxo-1H-pyrimidin-5-yl) 2-sulfanylbutanoate CAS Name: 2-mercaptobutanoic acid (6-methyl-4-oxo-1H-pyrimidin-5-yl) ester IUPAC Name: (6-methyl-4-oxo-1H-pyrimidin-5-yl) 2-sulfanylbutanoate Traditional Name: 2-mercaptobutyric acid (4-keto-6-methyl-1H-pyrimidin-5-yl) ester Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=C(NC=NC1=O)C)S

Isomeric SMILES

CCC(C(=O)OC1=C(NC=NC1=O)C)S

InChI

InChI=1S/C9H12N2O3S/c1-3-6(15)9(13)14-7-5(2)10-4-11-8(7)12/h4,6,15H,3H2,1-2H3,(H,10,11,12)