methyl 3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCC(=O)OC

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCC(=O)OC

InChI

InChI=1S/C9H12N2O3S/c1-6-5-7(12)11-9(10-6)15-4-3-8(13)14-2/h5H,3-4H2,1-2H3,(H,10,11,12)