4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCC(=O)[O-]

InChI

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