3-butyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-butyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-butyl-2-methylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-butyl-2-(methylthio)-6-oxo-4-pyrimidinolate IUPAC Name: 3-butyl-2-methylsulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-butyl-6-keto-2-(methylthio)pyrimidin-4-olate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=O)N=C1SC)[O-]

Isomeric SMILES

CCCCN1C(=CC(=O)N=C1SC)[O-]

InChI

InChI=1S/C9H14N2O2S/c1-3-4-5-11-8(13)6-7(12)10-9(11)14-2/h6,13H,3-5H2,1-2H3/p-1