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

Systemtic Name: methyl 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCC(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCC(=O)OC

InChI

InChI=1S/C11H16N2O3S/c1-3-4-8-7-9(14)13-11(12-8)17-6-5-10(15)16-2/h7H,3-6H2,1-2H3,(H,12,13,14)