5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentanoate

Systemtic Name: 5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentanoate Openeye Name: 5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanoate CAS Name: 5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]pentanoate IUPAC Name: 5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanoate Traditional Name: 5-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]valerate Formula: C10H13N2O3S- MolecularWeight: 241.28682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O3S/c1-7-6-8(13)12-10(11-7)16-5-3-2-4-9(14)15/h6H,2-5H2,1H3,(H,14,15)(H,11,12,13)/p-1