2-(3-methylbutylsulfanyl)-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-(3-methylbutylsulfanyl)-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-isopentylsulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(3-methylbutylthio)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-(3-methylbutylsulfanyl)-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-(isoamylthio)-6-keto-1H-pyrimidin-4-olate Formula: C9H13N2O2S- MolecularWeight: 213.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=CC(=O)N1)[O-]

Isomeric SMILES

CC(C)CCSC1=NC(=CC(=O)N1)[O-]

InChI

InChI=1S/C9H14N2O2S/c1-6(2)3-4-14-9-10-7(12)5-8(13)11-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)/p-1