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

Systemtic Name: 3-[(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: 3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: 3-[(6-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(6-butyl-4-keto-1H-pyrimidin-2-yl)thio]propionate Formula: C11H15N2O3S- MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)SCCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)SCCC(=O)[O-]

InChI

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