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

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]butanoate IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]butyrate Formula: C9H11N2O3S- MolecularWeight: 227.26024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCC(=O)[O-]

InChI

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